Structure of PDB 2j0m Chain B Binding Site BS01

Receptor Information
>2j0m Chain B (length=257) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYEIQRERIELGRCIGEGQFGDVHQGIYMSPENPALAVAIKTCKNCTSDS
VREKFLQEALTMRQFDHPHIVKLIGVITENPVWIIMELCTLGELRSFLQV
RKYSLDLASLILYAYQLSTALAYLESKRFVHRDIAARNVLVSSNDCVKLG
DFGLLPIKWMAPESINFRRFTSASDVWMFGVCMWEILMHGVKPFQGVKNN
DVIGRIENGERLPMPPNCPPTLYSLMTKCWAYDPSRRPRFTELKAQLSTI
LEEEKLQ
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 chain2j0m 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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PDB2j0m Structural Basis for the Autoinhibition of Focal Adhesion Kinase.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		I428 G429 V436 A452 K454 M499 E500 L501 C502 E506 R550 L553 D564
Binding residue
(residue number reindexed from 1)		I15 G16 V23 A39 K41 M86 E87 L88 C89 E93 R137 L140 D151
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D546 A548 R550 N551 D564
Catalytic site (residue number reindexed from 1) D133 A135 R137 N138 D151
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

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Molecular Function
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Biological Process
External links
PDB RCSB:2j0m, PDBe:2j0m, PDBj:2j0m
PDBsum2j0m
PubMed17574028
UniProtQ00944|FAK1_CHICK Focal adhesion kinase 1 (Gene Name=PTK2)

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