Structure of PDB 7jov Chain E

Receptor sequence
>7jovE (length=385) Species: 9606 (Homo sapiens) [Search protein sequence]
GASRQRKLEALIRDPRSPINVESLLDGLNSLVLDLDFPALRKNKNIDNFL
NRYEKIVKKIRGLQMKAEDYDVVKVIGRGAFGEVQLVRHKASQKVYAMKL
LSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYM
PGGDLVNLMSNYDVPEKWAKFYTAEVVLALDAIHSMGLIHRDVKPDNMLL
DKHGHLKLADFGTCMKMDETGMVHCDTTPDYISPEVLKSQGGDGFYGREC
DWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMDHKNSLCFPEAEISKHAK
NLICAFLTDREVRLGRNGVEEIRQHPFFKNDQWHWDNIRETAAPVVPELS
SDIDSSNFDDIVETFPIPKAFVGNQLPFIGFTYYR
3D structure
PDB7jov Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies.
ChainE
Resolution2.586 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) D192 K194 N197 D210 T228
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 VFS E I98 G101 G104 E105 V106 A119 K121 M169 Y171 M172 L221 D232 I76 G79 G82 E83 V84 A97 K99 M147 Y149 M150 L199 D210 BindingDB: IC50=2.90nM
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:7jov, PDBe:7jov, PDBj:7jov
PDBsum7jov
PubMed32798651
UniProtO75116|ROCK2_HUMAN Rho-associated protein kinase 2 (Gene Name=ROCK2)

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