Structure of PDB 4zji Chain A

Receptor sequence
>4zjiA (length=278) Species: 9606 (Homo sapiens) [Search protein sequence]
LEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDVATGQEVAIKQMNL
KELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDVVTE
TCMDEGQIAAVCRECLQALEFLHSNQVIHRDIKSDNILLGMDGSVKLTDF
GFCAQITPTMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGEPPY
LNENPLRALYLIATNGTPELQNPEKLSAIFRDFLNRCLEMDVEKRGSAKE
LLQHQFLKIAKPLSSLTPLIAAAKEATK
3D structure
PDB4zji Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
ChainA
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 P416 T427
Catalytic site (residue number reindexed from 1) D131 K133 D135 N136 D149 P158 T163
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 A E315 V318 M319 N322 I327 V328 F379 N383 H387 L405 T406 A412 E57 V60 M61 N64 I69 V70 F121 N125 H129 L147 T148 A154 MOAD: Kd=340nM
PDBbind-CN: -logKd/Ki=6.47,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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