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Enzyme   6.1.1.3
Classification ligase/ligase inhibitor    | release date: Thu, Nov 8, 2012
Title crystal structure of e. coli threonyl-trna synthetase bound inhibitor
Authors M.T.HILGERS
Method X-RAY DIFFRACTION (resolution: 1.90Å)
PDBe Citation   
Small molecules:    search ZN ZN binding statistics ZN   search 1B2 1B2 binding statistics 1B2
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:
MARDHRKIGKQLDLYHMQEEAPGMVFWHNDGWTIFRELEVFVRSKLKEYQYQEVKGPFMMDRVLWEKTGHWDNYKDAMFT
TSSENREYCIKPMNCPGHVQIFNQGLKSYRDLPLRMAEFGSCHRNEPSGSLHGLMRVRGFTQDDAHIFCTEEQIRDEVNG
CIRLVYDMYSTFGFEKIVVKLSTRPEKRIGSDEMWDRAEADLAVALEENNIPFEYQLGEGAFYGPKIEFTLYDCLDRAWQ
CGTVQLDFSLPSRLSASYVGEDNERKVPVMIHRAILGSMERFIGILTEEFAGFFPTWLAPVQVVIMNITDSQSEYVNELT
QKLSNAGIRVKADLRNEKIGFKIREHTLRRVPYMLVCGDKEVESGKVAVRTRRGKDLGSMDVNEVIEKLQQEIRSRSLKQ
LEELEHHHHHH
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 : THREONINE--TRNA LIGASE
member of: GENE3D:searchG3DSA_3.30.930.10/searchG3DSA_3.40.50.800HAMAP:searchMF_00184PANTHER:searchPTHR11451/searchPTHR11451_SF5PFAM:searchPF00587/searchPF03129PRINTS:searchTRNASYNTHTHRPROSITE PROFILES:searchPS50862, SUPERFAMILY:searchSSF52954/searchSSF55186/searchSSF55681TIGRFAMS:searchTIGR00418UniProt:searchP0A8M3
JMol viewer RasMol script viewer  1B2 702A  ..                                                                                           * *                            *          ***  * * * *                                                                            *  *                * *                          *     *                                                                                                                              
JMol viewer RasMol script viewer  ZN 701A  ..                                                                                           | *                            |          |||  | | | *                                                                            |  |                | |                          *     |                                                                                                                              
sec str:  ....hhhhhhhhh..ee.........eehhhhhhhhhhhhhhhhhhhhhh..ee.....eeehhhhhhhhhhhhhhhhh.eeee..eeeee...hhhhhhhhhh....hhhhh.eeeeeeeeee...hhhhh.......eeeeeeeeeeehhhhhhhhhhhhhhhhhhhhhhh....eeeeee........hhhhhhhhhhhhhhhhhhh...eeee.........eeeeeee.....eeeeeeeeee.hhhhhh...ee.....ee..eeeeeeeeeehhhhhhhhhhhh............eeeee.hhhhhhhhhhhhhhhhhh...eeee....hhhhhhhhhhhh...eeeeehhhhhhhheeeeee....eeeeeehhhhhhhhhhhhhh.........
sequence :  ..ARDHRKIGKQLDLYHMQEEAPGMVFWHNDGWTIFRELEVFVRSKLKEYQYQEVKGPFMMDRVLWEKTGHWDNYKDAMFTTSSENREYCIKPMNCPGHVQIFNQGLKSYRDLPLRMAEFGSCHRNEPSGSLHGLMRVRGFTQDDAHIFCTEEQIRDEVNGCIRLVYDMYSTFGFEKIVVKLSTRPEKRIGSDEMWDRAEADLAVALEENNIPFEYQLGEGAFYGPKIEFTLYDCLDRAWQCGTVQLDFSLPSRLSASYVGEDNERKVPVMIHRAILGSMERFIGILTEEFAGFFPTWLAPVQVVIMNITDSQSEYVNELTQKLSNAGIRVKADLRNEKIGFKIREHTLRRVPYMLVCGDKEVESGKVAVRTRRGKDLGSMDVNEVIEKLQQEIRSRSLKQLEEL
seq num:  ..241       251       261       271       281       291       301       311       321       331       341       351       361       371       381       391       401       411       421       431       441       451       461       471       481       491       501       511       521       531       541       551       561       571       581       591       601       611       621       631          
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..          ||||     |  |                    |   | |         | |    ||||  || ||  |  |                |  |   |||||           | | |||||||||| | |  |                         | ||| |     ||||||   |   |           | |||      | |         |  | | |         | |  | |||   | |||             |   ||   |  | ||  |  |       ^***|  |     | ||| |||    | | |     |  || |||            | |    | | || |            ||| ||| |     
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  TYR_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  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  nest ..          ****     |  |                        ***                ****   |  |                      |  |   ||| |           | | | || |  || |                                *** |        | |   |   |             ***      ***              ***                ***     ***             |   ||   |  ***   |  |                       |  ***    | | |     |  || ***            ***      ***               ||  ***       
search RasMol script viewer Motif-ligand binding stats  niche ..                   ****                                                  ****                      ****   |****           | | **** *******                                  ***        ***   |   |                      ***                                                         |   ||   |        ****                       |    |    *****     |  ||   |            | |                        ||  | |       
search RasMol script viewer Motif-ligand binding stats  schellmannloop ..                                                                                                          | | |           | |   |     |                                                      |   |                                                                                  |   ||   |                                   ******              |  ******            | |                        |******       
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 ..                                                                                                                          * *   *     *                                                                                                                                                                                                                                                                            

chain B : THREONINE--TRNA LIGASE
member of: GENE3D:searchG3DSA_3.30.930.10/searchG3DSA_3.40.50.800HAMAP:searchMF_00184PANTHER:searchPTHR11451/searchPTHR11451_SF5PFAM:searchPF00587/searchPF03129PRINTS:searchTRNASYNTHTHRPROSITE PROFILES:searchPS50862, SUPERFAMILY:searchSSF52954/searchSSF55186/searchSSF55681TIGRFAMS:searchTIGR00418UniProt:searchP0A8M3
JMol viewer RasMol script viewer  1B2 702B  ..                                                                                          * *                            * *        ***  * * * *                                                                            *  *             *  * *                          **    *  *                                                                                                                       
JMol viewer RasMol script viewer  ZN 701B  ..                                                                                          | *                            | |        |||  | | | *                                                                            |  |             |  | |                          *|    |  |                                                                                                                       
sec str:  ...hhhhhhhhh..ee.........eehhhhhhhhhhhhhhhhhhhhh...ee.....eeehhhhhhhhhhhhhhhhh.eeee..eeeee...hhhhhhhhhh....hhhhh.eeeeeeeeee...hhhhh.......eeeeeeeeeeehhhhhhhhhhhhhhhhhhhhhhhh....eeeee........hhhhhhhhhhhhhhhhhhh....eee.........eeeeeee.....eeeeeeeeee.hhhhhh...ee.....ee..eeeeeeeeeehhhhhhhhhhhh............eeeee.hhhhhhhhhhhhhhhhhh...eeee....hhhhhhhhhhhh...eeeeehhhhhhhheeeeee....eeeeeehhhhhhhhhhhhhh.....
sequence :  ..RDHRKIGKQLDLYHMQEEAPGMVFWHNDGWTIFRELEVFVRSKLKEYQYQEVKGPFMMDRVLWEKTGHWDNYKDAMFTTSSENREYCIKPMNCPGHVQIFNQGLKSYRDLPLRMAEFGSCHRNEPSGSLHGLMRVRGFTQDDAHIFCTEEQIRDEVNGCIRLVYDMYSTFGFEKIVVKLSTRPEKRIGSDEMWDRAEADLAVALEENNIPFEYQLGEGAFYGPKIEFTLYDCLDRAWQCGTVQLDFSLPSRLSASYVGEDNERKVPVMIHRAILGSMERFIGILTEEFAGFFPTWLAPVQVVIMNITDSQSEYVNELTQKLSNAGIRVKADLRNEKIGFKIREHTLRRVPYMLVCGDKEVESGKVAVRTRRGKDLGSMDVNEVIEKLQQEIRSRSLKQ
seq num:  ..242       252       262       272       282       292       302       312       322       332       342       352       362       372       382       392       402       412       422       432       442       452       462       472       482       492       502       512       522       532       542       552       562       572       582       592       602       612       622       632     
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION .. | |     ||||     |  |                    |   | |         | |    ||||   |  |  | || |              |  |   |||||           | | |||||||||| | |  |                           | |       ||| |    |   |           | |||      | |         |  | |||         | |    | |     | |                  |   |  | |   |  |       ^***|  | |   | ||  | |    | |           | |||        |   | |    | | || |                | | | 
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  TYR_PHOSPHO_SITE .. | |     ||||     |  |                    ******^         | |    ||||   |  |    |  |              |  |   |||||           | | |||||||||| |                                | |                |   |           | |||      | |            | |||         | |    | |     | |                  |   |  | |   |  |                |   |  |  | |    | |           | |||        |   | |    | | || |                | |   
search RasMol script viewer Motif-ligand binding stats  MYRISTYL .. | |     ||||     |  |                        | |         | |    ||||   |  |    |  |              |  |   |||||           | | |^*****||| |                                | |                |   |           | |||      | |            | |||         | |    | |     | |                  |   |  | |   |  |                |   |  |  | |    | |           | |||        |   | |    | | || |                | |   
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 ..                                                                                                                         * *   *     *                                                                                                                                                                                                                                                                        

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