Structure of PDB 4zjj Chain A

Receptor sequence
>4zjjA (length=280) Species: 9606 (Homo sapiens) [Search protein sequence]
SDEEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDVATGQEVAI
KQMNLQKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSL
TDVVTETCMDEGQIAAVCRECLQALEFLHSNQVIHRDIKSDNILLGMDGS
VKLTDFGFCAQITTMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIE
GEPPYLNENPLRALYLIATNGTPELQNPEKLSAIFRDFLNRCLEMDVEKR
GSAKELLQHQFLKIAKPLSSLTPLIAAAKE
3D structure
PDB4zjj Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
ChainA
Resolution2.2 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) D137 K139 D141 N142 D155 T168
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 4OR A M301 I312 E315 M319 N322 I327 V328 F379 N383 H387 L405 T406 M53 I60 E63 M67 N70 I75 V76 F127 N131 H135 L153 T154 MOAD: Kd=9.9nM
PDBbind-CN: -logKd/Ki=8.00,Kd=9.9nM
BindingDB: IC50=18nM,Kd=9.9nM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4zjj, PDBe:4zjj, PDBj:4zjj
PDBsum4zjj
PubMed26191365
UniProtQ13153|PAK1_HUMAN Serine/threonine-protein kinase PAK 1 (Gene Name=PAK1)

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