Structure of PDB 9ep8 Chain D

Receptor sequence

>9ep8D (length=386) Species: 9606 (Homo sapiens) [Search protein sequence]

AGASRQRKLEALIRDPRSPINVESLLDGLNSLVLDLDFPALRKNKNIDNF
LNRYEKIVKKIRGLQMKAEDYDVVKVIGRGAFGEVQLVRHKASQKVYAMK
LLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEY
MPGGDLVNLMSNYDVPEKWAKFYTAEVVLALDAIHSMGLIHRDVKPDNML
LDKHGHLKLADFGTCMKMDETGMVHTAVGTPDYISPEVLKSQGFYGRECD
WWSVGVFLYEMLVGDTPFYADSLVGTYSKIMDHKNSLCFPEDAEISKHAK
NLICAFLTDREVRLGRNGVEEIRQHPFFKNDQWHWDNIRETAAPVVPELS
SDIDSSNFDDIEVETFPIPKAFVGNQLPFIGFTYYR

3D structure

PDB

9ep8 Design and synthesis of novel 8-(azaindolyl)-benzoazepinones as potent and selective ROCK inhibitors

Chain

Resolution

2.63 Å

3D
structure

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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	A1H6L	D	I98 G101 V106 A119 K121 M169 M172 L221 D232 F384	I77 G80 V85 A98 K100 M148 M151 L200 D211 F358

External links

PDB	RCSB:9ep8, PDBe:9ep8, PDBj:9ep8
PDBsum	9ep8
PubMed
UniProt	O75116\|ROCK2_HUMAN Rho-associated protein kinase 2 (Gene Name=ROCK2)

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