Structure of PDB 5dey Chain B

Receptor sequence
>5deyB (length=281) Species: 9606 (Homo sapiens) [Search protein sequence]
EKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDVATGQEVAIKQMNLQ
QQPKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTD
VVTETCMDEGQIAAVCRECLQALEFLHSNQVIHRNIKSDNILLGMDGSVK
LTDFGFQSKRSEMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGE
PPYLNENPLRALYLIATNGTPELQNPEKLSAIFRDFLNRCLEMDVEKRGS
AKELLQHQFLKIAKPLSSLTPLIAAAKEATK
3D structure
PDB5dey Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
ChainB
Resolution2.1 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) N389 K391 D393 N394 D407 T427
Catalytic site (residue number reindexed from 1) N135 K137 D139 N140 D153 T166
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 59T B A297 K299 M319 M344 Y346 L347 D393 L396 T406 A43 K45 M65 M90 Y92 L93 D139 L142 T152 MOAD: Ki=3.7nM
BindingDB: Ki=3.7nM,IC50=69nM
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:5dey, PDBe:5dey, PDBj:5dey
PDBsum5dey
PubMed26713112
UniProtQ13153|PAK1_HUMAN Serine/threonine-protein kinase PAK 1 (Gene Name=PAK1)

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