Structure of PDB 4w7p Chain A

Receptor sequence
>4w7pA (length=388) Species: 9606 (Homo sapiens) [Search protein sequence]
SFETRFEKMDNLLRDPKSEVNSDCLLDGLDALVYDLDFPALRKNKNIDNF
LSRYKDTINKIRDLRMKAEDYEVVKVIGRGAFGEVQLVRHKSTRKVYAMK
LLSKFEMIKRSFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPG
GDLVNLMSNYDVPEKWARFYTAEVVLALDAIHSMGFIHRDVKPDNMLLDK
SGHLKLADFGTCMKMNKEGMVRCDTAVGTPDYISPEVLKSDGYYGRECDW
WSVGVFLYEMLVGDTPFYADSLVGTYSKIMNHKNSLTFPDDNDISKEAKN
LICAFLTDREVRLGRNGVEEIKRHLFFKNDQWAWETLRDTVAPVVPDLSS
DIDTSNFDDLEETFPIPKAFVGNQLPFVGFTYYSNRRY
3D structure
PDB4w7p Novel ROCK inhibitors for the treatment of pulmonary arterial hypertension.
ChainA
Resolution2.8 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D198 K200 N203 D216 T237
Catalytic site (residue number reindexed from 1) D190 K192 N195 D208 T229
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 3J7 A I82 V90 A103 K105 E154 Y155 M156 D160 D202 D216 I77 V85 A98 K100 E146 Y147 M148 D152 D194 D208 PDBbind-CN: -logKd/Ki=7.49,IC50=32nM
BindingDB: IC50=32nM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine 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:4w7p, PDBe:4w7p, PDBj:4w7p
PDBsum4w7p
PubMed25248678
UniProtQ13464|ROCK1_HUMAN Rho-associated protein kinase 1 (Gene Name=ROCK1)

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