Het-PDB Navi2 (PDB: 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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Download interaction data: 6E9W

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

Chain :

A, B

UniProt :

Q13464 (ROCK1_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
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+)	-	-

PDB ID: 6E9W