Structure of PDB 5dfp Chain A

Receptor sequence
>5dfpA (length=293) Species: 9606 (Homo sapiens) [Search protein sequence]
SDEEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDVATGQEVAI
RQMNLQQQPKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLA
GGSLTDVVTETCMDEGQIAAVCRECLQALEFLHSNQVIHRDIKSDNILLG
MDGSVKLTDFGFCAQITPEQSKRSTMVGTPYWMAPEVVTRKAYGPKVDIW
SLGIMAIEMIEGEPPYLNENPLRALYLIATNGTPELQNPEKLSAIFRDFL
NRCLEMDVEKRGSAKELLQHQFLKIAKPLSSLTPLIAAAKEAT
3D structure
PDB5dfp Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
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 P416 T427
Catalytic site (residue number reindexed from 1) D141 K143 D145 N146 D159 P168 T179
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 59U A A297 R299 E315 V342 M344 Y346 L347 G350 D354 L396 A49 R51 E67 V94 M96 Y98 L99 G102 D106 L148 MOAD: Ki=22nM
PDBbind-CN: -logKd/Ki=7.66,Ki=22nM
BindingDB: Ki=22nM,IC50=222nM
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:5dfp, PDBe:5dfp, PDBj:5dfp
PDBsum5dfp
PubMed26713112
UniProtQ13153|PAK1_HUMAN Serine/threonine-protein kinase PAK 1 (Gene Name=PAK1)

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