Structure of PDB 2j0k Chain B Binding Site BS01

Receptor Information
>2j0k Chain B (length=612) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVLKVFHYFENSSEPTTWASIIRHGDATDVRGIIQKIVDCHKVKNVACYG
LRLSHLQSEEVHWLHLDMGVSNVREKFELAHPPEEWKYELRIRYLPKGFL
NQFTEDKPTLNFFYQQVKNDYMLEIADQVDQEIALKLGCLEIRRSYGEMR
GNALEKKSNYEVLEKDVGLRRFFPKSLLDSVKAKTLRKLIQQTFRQFANL
NREESILKFFEILSPVYRFDKECFKCALGSSWIISVELAIGPEEGISYLT
DKGANPTHLADFNQVQTIQYSNSEDKDRKGMLQLKIAGAPEPLTVTAPSL
TIAENMADLIDGYCRLVNGATQSFIIRPGVRSHTDDYAEIIDEEDTYTMP
STRDYEIQRERIELGRCIGEGQFGDVHQGIYMSPENPAMAVAIKTCKNCT
SDSVREKFLQEALTMRQFDHPHIVKLIGVITENPVWIIMELCTLGELRSF
LQVRKFSLDLASLILYAYQLSTALAYLESKRFVHRDIAARNVLVSATDCV
KLGDFGLSRLPIKWMAPESINFRRFTSASDVWMFGVCMWEILMHGVKPFQ
GVKNNDVIGRIENGERLPMPPNCPPTLYSLMTKCWAYDPSRRPRFTELKA
QLSTILEEEKLQ
Ligand information
Ligand ID4ST
InChIInChI=1S/C28H30N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h5,7,9,11,17,20,26,29H,4,6,8,10,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
InChIKeyKIZWKTROWIIMNN-FYTWVXJKSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8CCCCc8n2c7c35
OpenEye OEToolkits 1.5.0C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)CCCC4)NC)OC
OpenEye OEToolkits 1.5.0CC12C(C(CC(O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)CCCC4)NC)OC
ACDLabs 10.04O=C4NCc3c2c1ccccc1n7c2c5n(c6c(c5c34)CCCC6)C8OC7(C)C(OC)C(NC)C8
CACTVS 3.341CN[CH]1C[CH]2O[C](C)([CH]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8CCCCc8n2c7c35
FormulaC28 H30 N4 O3
Name1,2,3,4-TETRAHYDROGEN-STAUROSPORINE;
AFN941
ChEMBL
DrugBank
ZINCZINC000022066862
PDB chain2j0k Chain B Residue 1687 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2j0k Structural Basis for the Autoinhibition of Focal Adhesion Kinase.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		I428 A452 V484 E500 L501 C502 E506 R550 L553 D564
Binding residue
(residue number reindexed from 1)		I368 A392 V424 E440 L441 C442 E446 R490 L493 D504
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D546 A548 R550 N551 D564
Catalytic site (residue number reindexed from 1) D486 A488 R490 N491 D504
Enzyme Commision number 2.7.10.2: non-specific protein-tyrosine kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004713 protein tyrosine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation
Cellular Component
GO:0005856 cytoskeleton

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2j0k, PDBe:2j0k, PDBj:2j0k
PDBsum2j0k
PubMed17574028
UniProtQ00944|FAK1_CHICK Focal adhesion kinase 1 (Gene Name=PTK2)

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