Structure of PDB 4zjj Chain D

Receptor sequence
>4zjjD (length=274) Species: 9606 (Homo sapiens) [Search protein sequence]
EILEKLRSIVSVKKKYTRFEKIGQGASGTVYTAMDVEVAIKQMNLPKKEL
IINEILVMRENKNPNIVNYLDSYGDELWVVMEYLAGGSLTDVVTETCMDE
GQIAAVCRECLQALEFLHSNQVIHRDIKSDNILLGMDGSVKLTDFGFCPE
QSKRSTMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGEPPYLNE
NPLRALYLIATNGTPELQNPEKLSAIFRDFLNRCLEMDVEKRGSAKELLQ
HQFLKIAKPLSSLTPLIAAAKEAT
3D structure
PDB4zjj Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
ChainD
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 P416 T427
Catalytic site (residue number reindexed from 1) D126 K128 D130 N131 D144 P149 T160
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 D M301 E315 M319 N322 I327 V328 M344 F379 N383 H387 L405 T406 D407 F410 M43 E54 M58 N61 I66 V67 M81 F116 N120 H124 L142 T143 D144 F147 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

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Molecular Function
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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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