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BioLiP

Structure of PDB 7jnt Chain C

Receptor sequence
>7jntC (length=386) Species: 9606 (Homo sapiens) [Search protein sequence]
GASRQRKLEALIRDPRSPINVESLLDGLNSLVLDLDFPALRKNKNIDNFL
NRYEKIVKKIRGLQMKAEDYDVVKVIGRGAFGEVQLVRHKASQKVYAMKL
LSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYM
PGGDLVNLMSNYDVPEKWAKFYTAEVVLALDAIHSMGLIHRDVKPDNMLL
DKHGHLKLADFGTCMKMDETGMVHCGTPDYISPEVLKSQGGFYGRECDWW
SVGVFLYEMLVGDTPFYADSLVGTYSKIMDHKNSLCFPEDAEISKHAKNL
ICAFLTDREVRLGRNGVEEIRQHPFFKNDQWHWDNIRETAAPVVPELSSD
IDSSNFDDIEDDVETFPIPKAFVGNQLPFIGFTYYR
3D structure
PDB7jnt Identification of 5H-chromeno[3,4-c]pyridine and 6H-isochromeno[3,4-c]pyridine derivatives as potent and selective dual ROCK inhibitors.
ChainC
Resolution2.214 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 T227
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 VFA C I98 G101 F103 G104 E105 V106 A119 K121 L123 M169 Y171 M172 L221 D232 F384 I76 G79 F81 G82 E83 V84 A97 K99 L101 M147 Y149 M150 L199 D210 F356 MOAD: ic50=6.3nM
BindingDB: IC50=6.32nM
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:7jnt, PDBe:7jnt, PDBj:7jnt
PDBsum7jnt
PubMed32805407
UniProtO75116|ROCK2_HUMAN Rho-associated protein kinase 2 (Gene Name=ROCK2)

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