Structure of PDB 6ed6 Chain A

Receptor sequence
>6ed6A (length=378) Species: 9606 (Homo sapiens) [Search protein sequence]
QRKLEALIRDPRSPINVESLLDGLNSLVLDLDFPALRKNKNIDNFLNRYE
KIVKKIRGLQMKAEDYDVVKVIGRGAFGEVQLVRHKASQKVYAMKLLSKF
EMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGGD
LVNLMSNYDVPEKWAKFYTAEVVLALDAIHSMGLIHRDVKPDNMLLDKHG
HLKLADFGTCMKMDETGMVHCDTAVGTPDYISPEVLKSQFYGRECDWWSV
GVFLYEMLVGDTPFYADSLVGTYSKIMDHKNSLCFPEDAEISKHAKNLIC
AFLTDREVRLGRNGVEEIRQHPFFKNDQWHWDNIRETAAPVVPELSSDID
SSNFDDIETFPIPKAFVGNQLPFIGFTY
3D structure
PDB6ed6 Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
ChainA
Resolution2.86 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) D188 K190 N193 D206 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 J0P A I98 G101 F103 G104 V106 A119 K121 L123 M169 Y171 M172 L221 D232 I72 G75 F77 G78 V80 A93 K95 L97 M143 Y145 M146 L195 D206 PDBbind-CN: -logKd/Ki=7.43,IC50=0.037uM
BindingDB: IC50=37nM
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:6ed6, PDBe:6ed6, PDBj:6ed6
PDBsum6ed6
PubMed30384606
UniProtO75116|ROCK2_HUMAN Rho-associated protein kinase 2 (Gene Name=ROCK2)

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