Structure of PDB 4wot Chain B

Receptor sequence
>4wotB (length=394) Species: 9606 (Homo sapiens) [Search protein sequence]
AGASRQRKLEALIRDPRSPINVESLLDGLNSLVLDLDFPALRKNKNIDNF
LNRYEKIVKKIRGLQMKAEDYDVVKVIGRGAFGEVQLVRHKASQKVYAMK
LLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEY
MPGGDLVNLMSNYDVPEKWAKFYTAEVVLALDAIHSMGLIHRDVKPDNML
LDKHGHLKLADFGTCMKMDETGMVHCDTAVGTPDYISPEVLKSQGGDGFY
GRECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMDHKNSLCFPEDAEI
SKHAKNLICAFLTDREVRLGRNGVEEIRQHPFFKNDQWHWDNIRETAAPV
VPELSSDIDSSNFDDIEDGDVETFPIPKAFVGNQLPFIGFTYYR
3D structure
PDB4wot Design, synthesis, and biological evaluation of novel, highly active soft ROCK inhibitors.
ChainB
Resolution2.93 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D214 K216 N219 D232 T253
Catalytic site (residue number reindexed from 1) D193 K195 N198 D211 T232
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 3SG B I98 G101 F103 G104 V106 A119 F136 M172 D214 N219 D232 T235 F384 I77 G80 F82 G83 V85 A98 F115 M151 D193 N198 D211 T214 F363 BindingDB: IC50=1.6nM
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:4wot, PDBe:4wot, PDBj:4wot
PDBsum4wot
PubMed25898023
UniProtO75116|ROCK2_HUMAN Rho-associated protein kinase 2 (Gene Name=ROCK2)

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