Structure of PDB 5kkt Chain A

Receptor sequence
>5kktA (length=389) Species: 9606 (Homo sapiens) [Search protein sequence]
SFETRFEKMDNLLRDPKSEVNSDCLLDGLDALVYDLDFPALRKNKNIDNF
LSRYKDTINKIRDLRMKAEDYEVVKVIGRGAFGEVQLVRHKSTRKVYAMK
LLSKFEMIKAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGG
DLVNLMSNYDVPEKWARFYTAEVVLALDAIHSMGFIHRDVKPDNMLLDKS
GHLKLADFGTCMKMNKEGMVRCDTAVGTPDYISPEVLKSQGGDGYYGREC
DWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMNHKNSLTFPDDNDISKEA
KNLICAFLTDREVRLGRNGVEEIKRHLFFKNDQWAWETLRDTVAPVVPDL
SSDIDTSNFDDLETFPIPKAFVGNQLPFVGFTYYSNRRY
3D structure
PDB5kkt ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors
ChainA
Resolution2.8 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) D189 K191 N194 D207 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 6U2 A I82 G85 F87 G88 E89 V90 A103 K105 F120 M153 Y155 M156 L205 D216 G218 F368 I77 G80 F82 G83 E84 V85 A98 K100 F111 M144 Y146 M147 L196 D207 G209 F359 PDBbind-CN: -logKd/Ki=9.00,Ki<1nM
BindingDB: Ki=<1.000000nM
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:5kkt, PDBe:5kkt, PDBj:5kkt
PDBsum5kkt
PubMed
UniProtQ13464|ROCK1_HUMAN Rho-associated protein kinase 1 (Gene Name=ROCK1)

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