Structure of PDB 4zji Chain D

Receptor sequence
>4zjiD (length=280) Species: 9606 (Homo sapiens) [Search protein sequence]
ILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDVATGQEVAIKQMN
KKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDVVT
ETCMDEGQIAAVCRECLQALEFLHSNQVIHRDIKSDNILLGMDGSVKLTD
FGFAQITSKRSTMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGE
PPYLNENPLRALYLIATNGTPELQNPEKLSAIFRDFLNRCLEMDVEKRGS
AKELLQHQFLKIAKPLSSLTPLIAAAKEAT
3D structure
PDB4zji Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
ChainD
Resolution1.99 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D389 K391 D393 N394 D407 T427
Catalytic site (residue number reindexed from 1) D132 K134 D136 N137 D150 T166
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 4OQ D E315 M319 N322 I327 V328 F379 N383 V385 H387 L405 T406 A412 E58 M62 N65 I70 V71 F122 N126 V128 H130 L148 T149 A154 MOAD: Kd=340nM
BindingDB: Kd=340nM,IC50=323nM
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:4zji, PDBe:4zji, PDBj:4zji
PDBsum4zji
PubMed26191365
UniProtQ13153|PAK1_HUMAN Serine/threonine-protein kinase PAK 1 (Gene Name=PAK1)

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