Structure of PDB 5kbq Chain A

Receptor sequence
>5kbqA (length=289) Species: 9606 (Homo sapiens) [Search protein sequence]
LEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDVATGQEVAIKQMNL
QQQPKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLT
DVVTETCMDEGQIAAVCRECLQALEFLHSNQVIHRNIKSDNILLGMDGSV
KLTDFGFCAQITPEQSKRSEMVGTPYWMAPEVVTRKAYGPKVDIWSLGIM
AIEMIEGEPPYLNENPLRALYLIATNGTPELQNPEKLSAIFRDFLNRCLD
MDVEKRGSAKELLQHQFLKIAKPLSSLTPLIAAAKEATK
3D structure
PDB5kbq Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors.
ChainA
Resolution2.58 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) N389 K391 D393 N394 D407 P416 T427
Catalytic site (residue number reindexed from 1) N136 K138 D140 N141 D154 P163 T174
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein 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 IPV A I276 G277 Q278 V284 A297 K299 E315 V342 M344 Y346 L347 L396 T406 I23 G24 Q25 V31 A44 K46 E62 V89 M91 Y93 L94 L143 T153 PDBbind-CN: -logKd/Ki=7.00,IC50=100nM
BindingDB: IC50=100nM
Gene Ontology
Molecular Function
GO:0004672 protein 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:5kbq, PDBe:5kbq, PDBj:5kbq
PDBsum5kbq
PubMed27994749
UniProtQ13153|PAK1_HUMAN Serine/threonine-protein kinase PAK 1 (Gene Name=PAK1)

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