Brand  (β version)

PDB ID: 3TWJ

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Ligands
Code Name Style Show Link
07R 1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea PoSSuM
EDO 1,2-ethanediol PoSSuM
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Structure summary

Code : 3TWJ   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Rho-associated protein kinase 1 (ROCK 1) IN COMPLEX WITH RKI1447
Release Data : 2012-08-22
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: N-terminal kinase domain, 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.-Y., Schonbrunn, E.
Keywords : kinase, dimer, dimerization, myosin, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.900 Å )
Citation :

RKI-1447 Is a Potent Inhibitor of the Rho-Associated ROCK Kinases with Anti-Invasive and Antitumor Activities in Breast Cancer.

Patel, R.A.,Forinash, K.D.,Pireddu, R.  et al.
(2012)  Cancer Res.  72 : 5025 - 5034

PubMed: 22846914
DOI: 10.1158/0008-5472.CAN-12-0954

Reaction

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