Structure of PDB 4zjj Chain B

Receptor sequence
>4zjjB (length=277) Species: 9606 (Homo sapiens) [Search protein sequence]
EEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDVATGQEVAIKQ
MNLKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDV
VTETCMDEGQIAAVCRECLQALEFLHSNQVIHRDIKSDNILLGMDGSVKL
TDFGFCAQITTMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGEP
PYLNENPLRALYLIATNGTPELQNPEKLSAIFRDFLNRCLEMDVEKRGSA
KELLQHQFLKIAKPLSSLTPLIAAAKE
3D structure
PDB4zjj Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
ChainB
Resolution2.2 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) D389 K391 D393 N394 D407 T427
Catalytic site (residue number reindexed from 1) D134 K136 D138 N139 D152 T165
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 B E315 M319 I327 V328 F379 N383 H387 L405 T406 E60 M64 I72 V73 F124 N128 H132 L150 T151 MOAD: 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)

[Back to BioLiP]