Brand  (β version)

PDB ID: 6E9W

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Ligands
Code Name Style Show Link
J0P N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 6E9W   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal structure of Rock1 with a pyridinylbenzamide based inhibitor
Release Data : 2018-11-14
Compound :
mol_id molecule chains synonym
1 Rho-associated protein kinase 1 A,B Renal carcinoma antigen NY-REN-35,Rho-associated,coiled-coil-containing protein kinase 1,coiled-coil-containing protein kinase I,ROCK-I,p160 ROCK-1,p160ROCK
ec: 2.7.11.1
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Trichoplusia ni  (taxid:7111)
gene: ROCK1
expression_system_cell_line: 83-Hi5
Authors : Judge, R.A., Hobson, A.D.
Keywords : Rock1, kinase, TRANSFERASE, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.9600 Å )
Citation :

Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.

Hobson, A.D.,Judge, R.A.,Aguirre, A.L.  et al.
(2018)  J. Med. Chem.  61 : 11074 - 11100

PubMed: 30384606
DOI: 10.1021/acs.jmedchem.8b01098

Reaction

Chain : A, B
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