Structure of PDB 3v8s Chain A

Receptor sequence
>3v8sA (length=395) Species: 9606 (Homo sapiens) [Search protein sequence]
ETRFEKMDNLLRDPKSEVNSDCLLDGLDALVYDLDFPALRKNKNIDNFLS
RYKDTINKIRDLRMKAEDYEVVKVIGRGAFGEVQLVRHKSTRKVYAMKLL
SKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMP
GGDLVNLMSNYDVPEKWARFYTAEVVLALDAIHSMGFIHRDVKPDNMLLD
KSGHLKLADFGTCMKMNKEGMVRCDTAVGTPDYISPEVLKSQGGDGYYGR
ECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMNHKNSLTFPDDNDISK
EAKNLICAFLTDREVRLGRNGVEEIKRHLFFKNDQWAWETLRDTVAPVVP
DLSSDIDTSNFDDLEEDKGEEETFPIPKAFVGNQLPFVGFTYYSN
3D structure
PDB3v8s Fragment-based and structure-guided discovery and optimization of rho kinase inhibitors.
ChainA
Resolution2.286 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) D191 K193 N196 D209 T230
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 0HD A R84 G85 G88 E89 V90 A103 K105 M153 E154 Y155 M156 L205 D216 R77 G78 G81 E82 V83 A96 K98 M146 E147 Y148 M149 L198 D209 MOAD: ic50=0.65uM
PDBbind-CN: -logKd/Ki=6.19,IC50=0.65uM
BindingDB: IC50=650nM
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
View graph for
Biological Process
External links
PDB RCSB:3v8s, PDBe:3v8s, PDBj:3v8s
PDBsum3v8s
PubMed22272748
UniProtQ13464|ROCK1_HUMAN Rho-associated protein kinase 1 (Gene Name=ROCK1)

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