PDBsum entry 3twj

Transferase/transferase inhibitor

PDB id: 3twj

Contents

Protein chain

396 a.a.

Ligands

07R ×2

EDO ×3

Waters ×40

PDB id:

3twj

Name:

Transferase/transferase inhibitor

Title:

Rho-associated protein kinase 1 (rock 1) in complex with rki1447

Structure:

Rho-associated protein kinase 1. Chain: a, b, c, d. Fragment: n-terminal kinase domain, residue 6-415. Synonym: 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. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: rock1. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108.

Resolution:

2.90Å R-factor: 0.224 R-free: 0.289

Authors:

M.P.Martin,J.-Y.Zhu,E.Schonbrunn

Key ref:

R.A.Patel et al. (2012). RKI-1447 is a potent inhibitor of the Rho-associated ROCK kinases with anti-invasive and antitumor activities in breast cancer. Cancer Res, 72, 5025-5034. PubMed id: 22846914 DOI: 10.1158/0008-5472.CAN-12-0954

Date:

21-Sep-11 Release date: 22-Aug-12

Protein chains

Q13464  (ROCK1_HUMAN) -  Rho-associated protein kinase 1 from Homo sapiens

Seq: 1354 a.a.

Struc: 396 a.a.

Enzyme reactions

• Enzyme class: E.C.2.7.11.1 - non-specific serine/threonine protein kinase.
• Reaction:
  1. L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H⁺
  2. L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H⁺

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

DOI no: 10.1158/0008-5472.CAN-12-0954

Cancer Res 72:5025-5034 (2012)

PubMed id: 22846914

RKI-1447 is a potent inhibitor of the Rho-associated ROCK kinases with anti-invasive and antitumor activities in breast cancer.

R.A.Patel, K.D.Forinash, R.Pireddu, Y.Sun, N.Sun, M.P.Martin, E.Schönbrunn, N.J.Lawrence, S.M.Sebti.

ABSTRACT

No abstract given.