Structure of PDB 4eqc Chain A

Receptor sequence
>4eqcA (length=297) Species: 9606 (Homo sapiens) [Search protein sequence]
DPFTSDEEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDVATGQ
EVAIRQMNLQQQPKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVM
EYLAGGSLTDVVTETCMDEGQIAAVCRECLQALEFLHSNQVIHRDIKSDN
ILLGMDGSVKLTDFGFCAQITPEQSKRSTMVGTPYWMAPEVVTRKAYGPK
VDIWSLGIMAIEMIEGEPPYLNENPLRALYLIATNGTPELQNPEKLSAIF
RDFLNRCLEMDVEKRGSAKELLQHQFLKIAKPLSSLTPLIAAAKEAT
3D structure
PDB4eqc FRAX597, a Small Molecule Inhibitor of the p21-activated Kinases, Inhibits Tumorigenesis of Neurofibromatosis Type 2 (NF2)-associated Schwannomas.
ChainA
Resolution2.01 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) D145 K147 D149 N150 D163 P172 T183
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 XR1 A A297 R299 E315 V342 M344 Y346 L347 G350 L396 T541 A53 R55 E71 V98 M100 Y102 L103 G106 L152 T297 MOAD: ic50=8nM
PDBbind-CN: -logKd/Ki=8.10,IC50=8nM
BindingDB: IC50=2.8nM
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:4eqc, PDBe:4eqc, PDBj:4eqc
PDBsum4eqc
PubMed23960073
UniProtQ13153|PAK1_HUMAN Serine/threonine-protein kinase PAK 1 (Gene Name=PAK1)

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