Structure of PDB 4zlo Chain A

Receptor sequence
>4zloA (length=278) Species: 9606 (Homo sapiens) [Search protein sequence]
DEEILEKLRSIVSVGDPKKKYTRFEKIGQSGTVYTAMDVATGQEVAIKQM
NKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDVV
TETCMDEGQIAAVCRECLQALEFLHSNQVIHRDIKSDNILLGMDGSVKLT
DFGSKRSTMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGEPPYL
NENPLRALYLIATNGTPELQNPEKLSAIFRDFLNRCLEMDVEKRGSAKEL
LQHQFLKIAKPLSSLTPLIAAAKEATKN
3D structure
PDB4zlo Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
ChainA
Resolution2.5 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) D133 K135 D137 N138 D151 T162
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 4PV A E315 V318 M319 N322 I327 N383 V385 H387 L405 T406 E59 V62 M63 N66 I71 N127 V129 H131 L149 T150 MOAD: ic50=12uM
PDBbind-CN: -logKd/Ki=4.92,IC50=12uM
BindingDB: IC50=12000nM
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:4zlo, PDBe:4zlo, PDBj:4zlo
PDBsum4zlo
PubMed26191365
UniProtQ13153|PAK1_HUMAN Serine/threonine-protein kinase PAK 1 (Gene Name=PAK1)

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