PDBsum entry 3unj

Transferase/transferase inhibitor

PDB id: 3unj

Contents

Protein chain

294 a.a.

Ligands

0BX

PO4

Waters ×214

PDB id:

3unj

Name:

Transferase/transferase inhibitor

Title:

Cdk2 in complex with inhibitor yl1-038-31

Structure:

Cyclin-dependent kinase 2. Chain: a. Synonym: cell division protein kinase 2, p33 protein kinase. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: cdk2. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

1.90Å R-factor: 0.199 R-free: 0.261

Authors:

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

Key ref:

M.P.Martin et al. (2012). A novel mechanism by which small molecule inhibitors induce the DFG flip in Aurora A. Acs Chem Biol, 7, 698-706. PubMed id: 22248356 DOI: 10.1021/cb200508b

Date:

15-Nov-11 Release date: 25-Jan-12

Protein chain

P24941  (CDK2_HUMAN) -  Cyclin-dependent kinase 2 from Homo sapiens

Seq: 298 a.a.

Struc: 294 a.a.

Enzyme reactions

• Enzyme class: E.C.2.7.11.22 - cyclin-dependent 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: 10.1021/cb200508b

Acs Chem Biol 7:698-706 (2012)

PubMed id: 22248356

A novel mechanism by which small molecule inhibitors induce the DFG flip in Aurora A.

M.P.Martin, J.Y.Zhu, H.R.Lawrence, R.Pireddu, Y.Luo, R.Alam, S.Ozcan, S.M.Sebti, N.J.Lawrence, E.Schönbrunn.

ABSTRACT

No abstract given.