triangle PDBeMotif: 3ue8  
  coner Sequences coner   coner 3D motifs coner   coner Ligand environment coner   coner Ligand bonds coner
   
coner
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coner
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Enzyme   2.6.1.39   2.6.1.7
Classification transferase/transferase inhibitor    | release date: Fri, Oct 28, 2011
Title kynurenine aminotransferase ii inhibitors
Authors A.B.DOUNAY, A.EVDOKIMOV, B.M.BECHLE, B.M.CAMPBELL, C.A.STRICK, E.EDELWEISS, H.WANG, J.B.TU, J.PANDIT, J.VALENTINE, J.Y.KIM, K.R.FONSECA, K.SCHUYTEN, L.A.MCALLISTER, L.E.ZAWADZKE, M.A.SALAFIA, M.ANDERSON, M.M.CLAFFEY, M.M.HAYWA, M.R.REESE, P.R.VERHOEST, S.B.RONG, S.GHOSH, V.D.PARI, V.PARADIS, W.HORNER, X.GAN
Method X-RAY DIFFRACTION (resolution: 3.22Å)
PDBe Citation   
Small molecules:    search 09M 09M binding statistics 09M   search CL CL binding statistics CL
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chains A,B sequence:
MNYARFITAASAARNPSPIRTMTDILSRGPKSMISLAGGLPNPNMFPFKTAVITVENGKTIQFGEEMMKRALQYSPSAGI
PELLSWLKQLQIKLHNPPTIHYPPSQGQMDLCVTSGSQQGLCKVFEMIINPGDNVLLDEPAYSGTLQSLHPLGCNIINVA
SDESGIVPDSLRDILSRWKPEDAKNPQKNTPKFLYTVPNGNNPTGNSLTSERKKEIYELARKYDFLIIEDDPYYFLQFNK
FRVPTFLSMDVDGRVIRADSFSKIISSGLRIGFLTGPKPLIERVILHIQVSTLHPSTFNQLMISQLLHEWGEEGFMAHVD
RVIDFYSNQKDAILAAADKWLTGLAEWHVPAAGMFLWIKVKGINDVKELIEEKAVKMGVLMLPGNAFYVDSSAPSPYLRA
SFSSASPEQMDVAFQVLAQLIKESLLVPRGSLEHHHHHH
Residue colours:  hydrophilic   hydrophobic   intermediate 
Assembly 1     View the assembly/model: ( JMolViewer Download PDB file RasMol script viewer AstexViewer™@MSD-EBI )
Motif search   chain:    Sequence numbers: 
   Using:   φ/ψ    residues code    secondary structures   
 coordinates of:  Cαs Side-chain
 
      View the fragment: rasmol script JMol viewer
chain A : KYNURENINE/ALPHA-AMINOADIPATE AMINOTRANSFERASEMITOCHONDRIAL;
member of: GENE3D:searchG3DSA_3.40.640.10/searchG3DSA_3.90.1150.10PANTHER:searchPTHR11751/searchPTHR11751_SF294PFAM:searchPF00155SUPERFAMILY:searchSSF53383UniProt:searchQ8N5Z0
JMol viewer RasMol script viewer  CL 441A  ..                ..                                                                                                                                                *          *                                                                                                                                                                                                                                              
JMol viewer RasMol script viewer  09M 440A  ..                ..                                                                                  ***                       *                                   |          |            *                           * **                          * **      *                                                                                    *                                           *                            
sec str:  .........hhhhhh.............hhhhh.eeeeeeee....eeeehhhhhhhhhh......hhhhhhhhhhhhhhhhhhhhhhhhhhhh.eeeeee.hhhhhhhhhhhhhh....eeee....hhhhhhhhh....eeee........hhhhhhhhhhhhhhhhhh........eeee............hhhhhhhhhhhhhhh..eeeee........................eeeeee...........eeeeeehhhhhhhhhhhhhhh...hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh...eee.......eeeeee......hhhhhh.hhhh.ee.ee.hhhh........eeeee....hhhhhhhhhhhhhhhhhhhhh.
sequence :  ..MNYARFITAASAARNP..ISLAGGLPNPNMFPFKTAVITVENGKTIQFGEEMMKRALQYSPSAGIPELLSWLKQLQIKLHNPPTIHYPPSQGQMDLCVTSGSQQGLCKVFEMIINPGDNVLLDEPAYSGTLQSLHPLGCNIINVASDESGIVPDSLRDILSRWKPEDAKNPQKNTPKFLYTVPNGNNPTGNSLTSERKKEIYELARKYDFLIIEDDPYYFLQFNKFRVPTFLSMDVDGRVIRADSFSKIISSGLRIGFLTGPKPLIERVILHIQVSTLHPSTFNQLMISQLLHEWGEEGFMAHVDRVIDFYSNQKDAILAAADKWLTGLAEWHVPAAGMFLWIKVKGINDVKELIEEKAVKMGVLMLPGNAFYVDSSAPSPYLRASFSSASPEQMDVAFQVLAQLIKESLLV
seq num:  ..1         11    ..34        44        54        64        74        84        94        104       114       124       134       144       154       164       174       184       194       204       214       224       234       244       254       264       274       284       294       304       314       324       334       344       354       364       374       384       394       404       414       424 
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..   |  ||  || |  .. |  |    |  | |      |  |           |  |                         |  |   | |       |    |    |  ||  |        | |    |  | |       |  | |  ^**|       || ||  | ^**       |   |||   ^**          | |    |  |               | |||||       |    || | |          |  ||       |   |                     |  |                                  |  |             | |    || || |  | | |    |  || |           | ||||| 
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..   |  ||  || |  .. |  |    |  | |      |  |           |  |                         |  |   | |       |    |    |  ||  |        | |    |  | |       |  | |  ^***       || ||  |           |   |||                | |    |  |               | |||||       |    || | |          |  ||       |   |                     |  |                                  |  |             | |    || || |  | | |    |  || |           | ||||| 
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..   |  ||  || |  .. |  |    |  | |      |  |           |  |                         |  |   | |       ^*****    |  ||  |        | ^*****  | |       |  | |  |          || ||  |           ^*****|                | |    |  |               | |||||       |    ^*****          |  ||       |   |                     |  |                                  |  |             | |    || || |  | | |    |  || |           | ||||| 
search RasMol script viewer Motif-ligand binding stats  alphabetamotif ..   |  ||  || |  .. |  |    |  | |      |  |           |  |                         |  |   | |                 |  ||  |        |         | |       |  | |  |          || ||  |               | |                | |    |  |               | |||||       |     | |            *****       |   |                     |  |                                  |  |             | |    || || |  | | |    |  || |           | ***** 
search RasMol script viewer Motif-ligand binding stats  betaturn ..   |  ||  || |  .. |  |    |  | |      |  |           |  |                         |  |   | |                 |  |****        |         | |       **** ****          ****|  |               | |                | |    |  |               | |||||       |     | |            ****        |   |                     ****                                  |  |             | |    ****| |  | | |    |  || |           | ***** 
search RasMol script viewer Motif-ligand binding stats  gammaturn ..   |  ||  || |  .. |  |    |  | |      |  |           |  |                         |  |   | |                 |  ||  |        |         | |                           |  |  |               | |                | |    |  |               ***||||       |     | |                        |   |                                                           |  |             | |     |  | |  | | |    |  || |           |   |   
search RasMol script viewer Motif-ligand binding stats  nest ..   |  ||  || |  .. |  |    |  | |      |  |           |  |                         |  |   ***                 |  ||  |        |         ***                           |  |  |               ***                ***    |  |                  ****       |     ***                        |   |                                                           |  |             ***     |  | |  | | |    |  || |           |   |   
search RasMol script viewer Motif-ligand binding stats  niche ..   ****|  ****  .. ****    ******      ****           ****                         ****                       ********        |                                       *******               | |                       |  |                   ***       |                                |   |                                                           ****                     **** **** ***    ****| |           |   |   
search RasMol script viewer Motif-ligand binding stats  stmotif ..       *****    ..                                                                                                            |                                                             | |                       |  |                             |                                *****                                                                                              | |        | |           |   |   
search RasMol script viewer Motif-ligand binding stats  ststaple ..                ..                                                                                                            |                                                             | |                       |  |                             |                                                                                                                                   | |        | |           *****   
search RasMol script viewer Motif-ligand binding stats  stturn ..                ..                                                                                                            |                                                             ***                       |  |                             |                                                                                                                                   ***        ***                   
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                ..                                                                                                            *                                                                                       *  *                             *                                                                                                                                                                    

Assembly 2     View the assembly/model: ( JMolViewer Download PDB file RasMol script viewer AstexViewer™@MSD-EBI )
Motif search   chain:    Sequence numbers: 
   Using:   φ/ψ    residues code    secondary structures   
 coordinates of:  Cαs Side-chain
 
      View the fragment: rasmol script JMol viewer
chain B : KYNURENINE/ALPHA-AMINOADIPATE AMINOTRANSFERASEMITOCHONDRIAL;
member of: GENE3D:searchG3DSA_3.40.640.10/searchG3DSA_3.90.1150.10PANTHER:searchPTHR11751/searchPTHR11751_SF294PFAM:searchPF00155SUPERFAMILY:searchSSF53383UniProt:searchQ8N5Z0
JMol viewer RasMol script viewer  CL 441B  ..                 ..                                                                                                                                                     *          *                                                                                                                                                                                                                                            
JMol viewer RasMol script viewer  09M 440B  ..                 ..                                                                                       ***                       *                                   |          |       *    *                           * **                          * **      *                                                                                                                                *                          
sec str:  ....hhhhhhhhhhhh..........ee......hhhhh.eeeeeeee..eeeeeehhhhhhhhhh......hhhhhhhhhhhhhhhhhhhhhhh......eeeeeehhhhhhhhhhhhhhh....eeee....hhhhhhhhh....eeee..ee..eehhhhhhhhhh................eeee............hhhhhhhhhhhhhhh..eeeee..............hhhhhh....eeeeee...........eeeeeehhhhhhhhhhhhhhh...hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh...eee.......eeeeee.....hhhhhhh.hhhhh....hhhhhh........eeeee....hhhhhhhhhhhhhhhhhhhh
sequence :  ..MNYARFITAASAARNPS..GPKSMISLAGGLPNPNMFPFKTAVITVENGKTIQFGEEMMKRALQYSPSAGIPELLSWLKQLQIKLHNPPTIHYPPSQGQMDLCVTSGSQQGLCKVFEMIINPGDNVLLDEPAYSGTLQSLHPLGCNIINVASDESGIVPDSLRDILSRWKPEDAKNPQKNTPKFLYTVPNGNNPTGNSLTSERKKEIYELARKYDFLIIEDDPYYFLQFNKFRVPTFLSMDVDGRVIRADSFSKIISSGLRIGFLTGPKPLIERVILHIQVSTLHPSTFNQLMISQLLHEWGEEGFMAHVDRVIDFYSNQKDAILAAADKWLTGLAEWHVPAAGMFLWIKVKGINDVKELIEEKAVKMGVLMLPGNAFYVDSSAPSPYLRASFSSASPEQMDVAFQVLAQLIKESL
seq num:  ..1         11     ..29        39        49        59        69        79        89        99        109       119       129       139       149       159       169       179       189       199       209       219       229       239       249       259       269       279       289       299       309       319       329       339       349       359       369       379       389       399       409       419    
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..   |  |          .. ||||    | |  |  | |                     |  |                         |  |             |    |        |  |        | |    |  | |       | ||||  ^**|  |  |  |  |  | ^**       ||  |||   ^**   |  ||         |  ||  | |       |  | ||||       |    || | |                                                                 |  || |                                      || || |  |       ||| ||   |         |   | 
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..   |  |          .. ||||    | |  |  | |                     |  |                         |  |             |    |        |  |        | |    |  | |       | ||||  ^***  |  |  |  |  |           ||  |||         |  ||         |  ||  | |       |  | ||||       |    || | |                                                                 |  || |                                      || || |  |       ||| ||   |         |   | 
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..   |  |          .. ||||    | |  |  | |                     |  |                         |  |             ^*****        |  |        | ^*****  | |       | ||||  |||   |  |  |  |  |           ^*****|         |  ||         |  ||  | |       |  | ||||       |    ^*****                                                                 |  || |                                      || || |  |       ||| ||   |         |   | 
search RasMol script viewer Motif-ligand binding stats  alphabetamotif ..   |  |          .. ||||    | |  |  | |                     |  |                         |  |                           |  |        |         | |       | |||*****|   |  |  |  |  |            |  | |         *****         |  ||  | |       |  | ||||       |     | |                                                                   |  || |                                      || || |  |       ||| ||   |         |   | 
search RasMol script viewer Motif-ligand binding stats  asxmotif ..   |  |          .. ||||    | |  |  | |                     |  |                         |  |                           |  |        |         | |       *****|  | |   |  |  |  |  |            |  | |         |  |          |  ||  | |       |  | ||||       |     | |                                                                   |  || |                                      || || |  |       ||| ||   |         |   | 
search RasMol script viewer Motif-ligand binding stats  asxturn ..   |  |          .. ||||    | |  |  | |                     |  |                         |  |                           |  |        |         | |       ***| |  | |   |  |  |  |  |            |  | |         |  |          |  ||  | |       |  | ||||       |     | |                                                                   |  || |                                      || || |  |       ||| ||   |         |   | 
search RasMol script viewer Motif-ligand binding stats  betabulgeloop ..   |  |          .. ||||    | |  |  | |                     |  |                         |  |                           |  |        |         | |       |  | |  | |   |  |  |  |  |            ******         |  |          |  ||  | |       |  | ||||       |     | |                                                                   |  || |                                      || || |  |       ||| ||   |         |   | 
search RasMol script viewer Motif-ligand binding stats  betaturn ..   |  |          .. ||||    | |  |  | |                     |  |                         |  |                           ****        |         | |       **** **** |   |  ****  |  |               | |         ****          |  ||  | |       **** ||||       |     | |                                                                   |  || |                                      ****| |  |       ||| ||   |         |   | 
search RasMol script viewer Motif-ligand binding stats  gammaturn ..   |  |          .. ***|    | |  |  | |                     |  |                         |  |                           |  |        |         | |                 |   |        |  |               | |                       |  ||  | |            ||||       |     | |                                                                   |  || |                                       |  | |  |       ||| ||   |         |   | 
search RasMol script viewer Motif-ligand binding stats  nest ..   |  |          ..  | |    | |  |  | |                     |  |                         |  |                           |  |        |         ***                 |   |        |  |               ***                       |  ||  | |            ****       |     ***                                                                   |  |***                                       |  | |  |       ||| ||   |         |   | 
search RasMol script viewer Motif-ligand binding stats  niche ..   ****          ..  ***    ***  ******                     ****                         ****                           ****        |                             |   |        ****                                         |  |******                       |                                                                           ****                                          *********       |****|   |         |   | 
search RasMol script viewer Motif-ligand binding stats  stmotif ..                 ..                                                                                                                 |                             |   |                                                     |  |                             |                                                                                                                                         | |  *****         |   | 
search RasMol script viewer Motif-ligand binding stats  ststaple ..                 ..                                                                                                                 |                             *****                                                     |  |                             |                                                                                                                                         | |                ***** 
search RasMol script viewer Motif-ligand binding stats  stturn ..                 ..                                                                                                                 |                                                                                       |  |                             |                                                                                                                                         ***                      
search RasMol script viewer Motif-ligand binding stats  Catalytic site ..                 ..                                                                                                                 *                                                                                       *  *                             *                                                                                                                                                                  

Assembly 3     View the assembly/model: ( JMolViewer Download PDB file RasMol script viewer AstexViewer™@MSD-EBI )
Motif search   chain:    Sequence numbers: 
   Using:   φ/ψ    residues code    secondary structures   
 coordinates of:  Cαs Side-chain
 
      View the fragment: rasmol script JMol viewer
chain A : KYNURENINE/ALPHA-AMINOADIPATE AMINOTRANSFERASEMITOCHONDRIAL;
member of: GENE3D:searchG3DSA_3.40.640.10/searchG3DSA_3.90.1150.10PANTHER:searchPTHR11751/searchPTHR11751_SF294PFAM:searchPF00155SUPERFAMILY:searchSSF53383UniProt:searchQ8N5Z0
JMol viewer RasMol script viewer  CL 441A  ..                ..                                                                                                                                                *          *                                                                                                                                                                                                                                              
JMol viewer RasMol script viewer  09M 440B  ..                ..     *                                  *                                                                                                       |          |                                                                                                                                                                                                                                              
JMol viewer RasMol script viewer  09M 440A  ..                ..     |                                  |                                         ***                       *                                   |          |            *                           * **                          * **      *                                                                                    *                                           *                            
sec str:  .........hhhhhh.............hhhhh.eeeeeeee....eeeehhhhhhhhhh......hhhhhhhhhhhhhhhhhhhhhhhhhhhh.eeeeee.hhhhhhhhhhhhhh....eeee....hhhhhhhhh....eeee........hhhhhhhhhhhhhhhhhh........eeee............hhhhhhhhhhhhhhh..eeeee........................eeeeee...........eeeeeehhhhhhhhhhhhhhh...hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh...eee.......eeeeee......hhhhhh.hhhh.ee.ee.hhhh........eeeee....hhhhhhhhhhhhhhhhhhhhh.
sequence :  ..MNYARFITAASAARNP..ISLAGGLPNPNMFPFKTAVITVENGKTIQFGEEMMKRALQYSPSAGIPELLSWLKQLQIKLHNPPTIHYPPSQGQMDLCVTSGSQQGLCKVFEMIINPGDNVLLDEPAYSGTLQSLHPLGCNIINVASDESGIVPDSLRDILSRWKPEDAKNPQKNTPKFLYTVPNGNNPTGNSLTSERKKEIYELARKYDFLIIEDDPYYFLQFNKFRVPTFLSMDVDGRVIRADSFSKIISSGLRIGFLTGPKPLIERVILHIQVSTLHPSTFNQLMISQLLHEWGEEGFMAHVDRVIDFYSNQKDAILAAADKWLTGLAEWHVPAAGMFLWIKVKGINDVKELIEEKAVKMGVLMLPGNAFYVDSSAPSPYLRASFSSASPEQMDVAFQVLAQLIKESLLV
seq num:  ..1         11    ..34        44        54        64        74        84        94        104       114       124       134       144       154       164       174       184       194       204       214       224       234       244       254       264       274       284       294       304       314       324       334       344       354       364       374       384       394       404       414       424 
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..   |  ||  || |  .. |  |    |  | |      |  |           |  |                         |  |   | |       |    |    |  ||  |        | |    |  | |       |  | |  ^**|       || ||  | ^**       |   |||   ^**          | |    |  |               | |||||       |    || | |          |  ||       |   |                     |  |                                  |  |             | |    || || |  | | |    |  || |           | ||||| 
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chain B : KYNURENINE/ALPHA-AMINOADIPATE AMINOTRANSFERASEMITOCHONDRIAL;
member of: GENE3D:searchG3DSA_3.40.640.10/searchG3DSA_3.90.1150.10PANTHER:searchPTHR11751/searchPTHR11751_SF294PFAM:searchPF00155SUPERFAMILY:searchSSF53383UniProt:searchQ8N5Z0
JMol viewer RasMol script viewer  CL 441B  ..                 ..                                                                                                                                                     *          *                                                                                                                                                                                                                                            
JMol viewer RasMol script viewer  09M 440B  ..                 ..                                                                                       ***                       *                                   |          |       *    *                           * **                          * **      *                                                                                                                                *                          
JMol viewer RasMol script viewer  09M 440A  ..                 ..                                             *                                         |||                       |                                   |          |       |    |                           | ||                          | ||      |                                                                                                                                |                          
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sequence :  ..MNYARFITAASAARNPS..GPKSMISLAGGLPNPNMFPFKTAVITVENGKTIQFGEEMMKRALQYSPSAGIPELLSWLKQLQIKLHNPPTIHYPPSQGQMDLCVTSGSQQGLCKVFEMIINPGDNVLLDEPAYSGTLQSLHPLGCNIINVASDESGIVPDSLRDILSRWKPEDAKNPQKNTPKFLYTVPNGNNPTGNSLTSERKKEIYELARKYDFLIIEDDPYYFLQFNKFRVPTFLSMDVDGRVIRADSFSKIISSGLRIGFLTGPKPLIERVILHIQVSTLHPSTFNQLMISQLLHEWGEEGFMAHVDRVIDFYSNQKDAILAAADKWLTGLAEWHVPAAGMFLWIKVKGINDVKELIEEKAVKMGVLMLPGNAFYVDSSAPSPYLRASFSSASPEQMDVAFQVLAQLIKESL
seq num:  ..1         11     ..29        39        49        59        69        79        89        99        109       119       129       139       149       159       169       179       189       199       209       219       229       239       249       259       269       279       289       299       309       319       329       339       349       359       369       379       389       399       409       419    
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