PDBsum entry 5wnh

Transferase/transferase inhibitor

PDB id: 5wnh

Contents

Protein chains

394 a.a.

365 a.a.

Ligands

B5G ×4

Waters ×79

PDB id:

5wnh

Name:

Transferase/transferase inhibitor

Title:

X-ray co-structure of rho-associated protein kinase (rock1) with a highly selective inhibitor

Structure:

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

Source:

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

Resolution:

3.10Å R-factor: 0.227 R-free: 0.234

Authors:

X.Li

Key ref:

X.Li et al. Novel mechanism of rho kinase selectivity: beyond the pocket. To be published, .

Date:

31-Jul-17 Release date: 01-Aug-18

Protein chains

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

Seq: 1354 a.a.

Struc: 394 a.a.

Protein chain

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

Seq: 1354 a.a.

Struc: 365 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

Enzyme reactions

• Enzyme class: Chains A, B, C, D: 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