Structure of PDB 4gu9 Chain A

Receptor sequence
>4gu9A (length=252) Species: 9606 (Homo sapiens) [Search protein sequence]
DYEIQRERIELGRCIGEGQFGDVHQGIYMSPPALAVAIKTCKNCTSDSVR
EKFLQEALTMRQFDHPHIVKLIGVITENPVWIIMELCTLGELRSFLQVRK
YSLDLASLILYAYQLSTALAYLESKRFVHRDIAARNVLVSSNDCVKLGDF
LPIKWMAPESINFRRFTSASDVWMFGVCMWEILMHGVKPFQGVKNNDVIG
RIENGERLPMPPNCPPTLYSLMTKCWAYDPSRRPRFTELKAQLSTILEEE
KA
3D structure
PDB4gu9 Fragment-based discovery of new highly substituted 1H-pyrrolo[2,3-b]- and 3H-imidazolo[4,5-b]-pyridines as focal adhesion kinase inhibitors.
ChainA
Resolution2.4 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D546 A548 R550 N551 D564
Catalytic site (residue number reindexed from 1) D131 A133 R135 N136 D149
Enzyme Commision number 2.7.10.2: non-specific protein-tyrosine kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 4GU A I428 A452 M499 E500 C502 L553 I15 A37 M84 E85 C87 L138 MOAD: Kd=43uM
PDBbind-CN: -logKd/Ki=4.37,Kd=43uM
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:4gu9, PDBe:4gu9, PDBj:4gu9
PDBsum4gu9
PubMed23294348
UniProtQ05397|FAK1_HUMAN Focal adhesion kinase 1 (Gene Name=PTK2)

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