Brand  (β version)

PDB ID: 3V8S

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Ligands
Code Name Style Show Link
0HD 1-(1h-indazol-5-yl)-3-(2-phenylethyl)urea PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 3V8S   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Human RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK 1) IN COMPLEX WITH INDAZOLE DERIVATIVE (COMPOUND 18)
Release Data : 2012-02-08
Compound :
mol_id molecule chains synonym
1 Rho-associated protein kinase 1 A,B,C,D Renal carcinoma antigen NY-REN-35, Rho-associated, coiled-coil-containing protein kinase 1, Rho-associated, coiled-coil-containing protein kinase I, ROCK-I, p160 ROCK-1, p160ROCK
ec: 2.7.11.1
fragment: RESIDUE 6-415
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: ROCK1
expression_system_vector_type: BACULOVIRUS
expression_system_plasmid: pFB-Dual-PBL
Authors : Martin, M.P., Zhu, J.-Yi., Schonbrunn, E.
Keywords : KINASE, DIMERIZATION, MYOSIN, TRANSFERASE, INHIBITOR, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.286 Å )
Citation :

Fragment-based and structure-guided discovery and optimization of rho kinase inhibitors.

Li, R.,Martin, M.P.,Liu, Y.  et al.
(2012)  J.Med.Chem.  55 : 2474 - 2478

PubMed: 22272748
DOI: 10.1021/jm201289r

Reaction

Chain : A, B, C, D
UniProt : Q13464 (ROCK1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H(+) 2.7.11.1 PubMed:10436159, PubMed:10652353, PubMed:11018042, PubMed:23093407, PubMed:23355470
left-to-right
L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H(+) 2.7.11.1 PubMed:10436159, PubMed:10652353, PubMed:11018042, PubMed:23093407, PubMed:23355470
left-to-right
Cofactor: Evidence: Note:
Mg(2+) - -