triangle PDBeMotif: 4ivc  
  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   2.7.10.2
Classification transferase/transferase inhibitor    | release date: Tue, Jan 22, 2013
Title jak1 kinase (jh1 domain) in complex with the inhibitor (tran [(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1( yl}cyclohexyl)acetonitrile
Authors C.EIGENBROT, S.SHIA
Method X-RAY DIFFRACTION (resolution: 2.35Å)
PDBe Citation   
Small molecules:    search 1J6 1J6 binding statistics 1J6
Modified residues:  search PTR PTR binding statistics PTR
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:
GDIVSEKKPATEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIADLKKEIEILRNL
YHENIVKYKGICTEDGGNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVE
SEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMI
GPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK
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 : TYROSINE-PROTEIN KINASE JAK1
member of: GENE3D:searchG3DSA_1.10.510.10/searchG3DSA_3.30.200.20PANTHER:searchPTHR24418/searchPTHR24418_SF67PFAM:searchPF07714PFAMB:searchPB003089/searchPB004864PIRSF:searchPIRSF000636PRINTS:searchJANUSKINASE/searchTYRKINASEPROSITE PATTERNS:searchPS00107/searchPS00109, PROSITE PROFILES:searchPS50011, SMART:searchSM00219SUPERFAMILY:searchSSF56112UniProt:searchP23458
JMol viewer RasMol script viewer  1J6 1201A  ..                            ****    *                *      ..                             ..     ****  **  *                                        ** *         **                                                                                                                                     
sec str:  ....................hhh.eeeeeeeee...eeeeeeee........eeeeeeee.....hhhhhhhhhhhhh........eeeee......eeeee.....hhhhhh..hhhhhhhhhhhhhhhhhhhhhhhhhhh.ee....hhh.eeeee..eeee......ee.......ee.......hhhhhhhhhhhhheehhhhhhhhhhhhhhhhhh..hhhhhhhhhhhhhhh..hhhhhhhhhhhhhhh..........hhhhhhhhhhhh..hhhhh.hhhhhhhhhhhhhh
sequence :  ..GDIVSEKKPATEVDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKP..HIADLKKEIEILRNLYHENIVKYKGICTE..GIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK
seq num:  ..853       863       873       883       893       903       ..918       928       938      ..951       961       971       981       991       1001      1011      1021      1031      1041      1051      1061      1071      1081      1091      1101      1111      1121      1131      1141          
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  MYRISTYL ..             | ||  |  |     |  |  |       | ||||||     |    ..****       |  | |  |         ..        |  || |     || ||               |   | | | | | || || | |  |     |^*****|  |           || ||      | |              |   | | |  |   |        |  |   |   || ||||   |  |         |  | ||  | |   |         
search RasMol script viewer Motif-ligand binding stats  AMIDATION ..             | ||  |  |     |  |  |       | ||||||     |    ..           |  | |  |         ..        |  || |     || ||               |   | | | | | || || | |  |     |  |   |  |           || ||      | |              |   | | |  |   |        |  |   |   || ^***   |  |         |  | ||  | |   |         
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_ATP ..             | ||  |  |     ****************************    ..           |  | |  |         ..        |  || |     || ||               |   | | | | | || || | |  |     |  |   |  |           || ||      | |              |   | | |  |   |        |  |   |   || |||    |  |         |  | ||  | |   |         
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_TYR ..             | ||  |  |        |  |       | ||||||          ..           |  | |  |         ..        |  || |     || ||               |   | | ****^******** |  |     |  |   |  |           || ||      | |              |   | | |  |   |        |  |   |   || |||    |  |         |  | ||  | |   |         
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  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  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 : TYROSINE-PROTEIN KINASE JAK1
member of: GENE3D:searchG3DSA_1.10.510.10/searchG3DSA_3.30.200.20PANTHER:searchPTHR24418/searchPTHR24418_SF67PFAM:searchPF07714PFAMB:searchPB003089/searchPB004864PIRSF:searchPIRSF000636PRINTS:searchJANUSKINASE/searchTYRKINASEPROSITE PATTERNS:searchPS00107/searchPS00109, PROSITE PROFILES:searchPS50011, SMART:searchSM00219SUPERFAMILY:searchSSF56112UniProt:searchP23458
JMol viewer RasMol script viewer  1J6 1201B  ..                ****    *                * *    ..                             ..      ****  **  *                                        *  *          *                                                                                                                                     
sec str:  ........hhh.eeeeeeeee...eeeeeeee.........eeeeeee.....hhhhhhhhhhhhhh........eeeee......eeeee.....hhhhhhhhhh...hhhhhhhhhhhhhhhhhhhhhh.ee....hhh.eeeee..eeee......ee......eee.......hhhhhhhhhhhh.eeehhhhhhhhhhhhhhhhh..hhhhhhhhhhhhhhh..hhhhhhhhhhhhhhh..........hhhhhhhhhhhh..hhhhh.hhhhhhhhhhhhhh
sequence :  ..VDPTHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKP..NHIADLKKEIEILRNLYHENIVKYKGICT..NGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALLK
seq num:  ..865       875       885       895       905     ..917       927       937      ..950       960       970       980       990       1000      1010      1020      1030      1040      1050      1060      1070      1080      1090      1100      1110      1120      1130      1140      1150 
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  MYRISTYL .. | ||| |  |  || || |  |         ||||||     |    ..*****       |  | |  |   ||   ..             | |      |  ||   |          |   | | | | | || || | | ||    ||^*****|  |       |  | |  |      | | |  ||  |     ||| ||||| ||                       || ||||   |  ||  ||    |  | ||  | |   |         
search RasMol script viewer Motif-ligand binding stats  AMIDATION .. | ||| |  |  || || |  |         ||||||     |    ..            |  | |  |   ||   ..             | |      |  ||   |          |   | | | | | || || | | ||    ||| |   |  |       |  | |  |      | | |  ||  |     ||| ||||| ||                       || ^***   |  ||  ||    |  | ||  | |   |         
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_ATP .. | ||| |  |  || ****************************    ..            |  | |  |   ||   ..             | |      |  ||   |          |   | | | | | || || | | ||    ||| |   |  |       |  | |  |      | | |  ||  |     ||| ||||| ||                       || |||    |  ||  ||    |  | ||  | |   |         
search RasMol script viewer Motif-ligand binding stats  PROTEIN_KINASE_TYR .. | ||| |  |  || || |  |         ||||||          ..            |  | |  |   ||   ..             | |      |  ||   |          |   | | ****^******** | ||    ||| |   |  |       |  | |  |      | | |  ||  |     ||| ||||| ||                       || |||    |  ||  ||    |  | ||  | |   |         
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  betabulge .. |  |  |  |  ** ** |  |         ||||||          ..            |  | |  |   **   ..             | |      |  |               |   | | | | | || ||   | ||     |  |   |  |       |  | |  |      | | |  |   |     ||| ||||| ||                       || |||    |  ||  |     |  | ||  | |   |         
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 ..                                                ..                             ..                                         *   *                                                                                                                                                               

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