Structure of PDB 6e9w Chain A

Receptor sequence
>6e9wA (length=383) Species: 9606 (Homo sapiens) [Search protein sequence]
TRFEKMDNLLRDPKSEVNSDCLLDGLDALVYDLDFPALRKNKNIDNFLSR
YKDTINKIRDLRMKAEDYEVVKVIGRGAFGEVQLVRHKSTRKVYAMKLLS
KFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPG
GDLVNLMSNYDVPEKWARFYTAEVVLALDAIHSMGFIHRDVKPDNMLLDK
SGHLKLADFGTCMKMNKEGMVRCDTAVGTPDYISPEVLKSYYGRECDWWS
VGVFLYEMLVGDTPFYADSLVGTYSKIMNHKNSLTFPDDNDISKEAKNLI
CAFLTDREVRLGRNGVEEIKRHLFFKNDQWAWETLRDTVAPVVPDLSSDI
DTSNFDDLTFPIPKAFVGNQLPFVGFTYYSNRR
3D structure
PDB6e9w Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
ChainA
Resolution2.96 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 J0P A I82 G85 A86 F87 G88 V90 A103 K105 L107 Y155 M156 D216 I74 G77 A78 F79 G80 V82 A95 K97 L99 Y147 M148 D208 PDBbind-CN: -logKd/Ki=6.55,IC50=0.28uM
BindingDB: IC50=450nM
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:6e9w, PDBe:6e9w, PDBj:6e9w
PDBsum6e9w
PubMed30384606
UniProtQ13464|ROCK1_HUMAN Rho-associated protein kinase 1 (Gene Name=ROCK1)

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