PDBsum entry 3lfq

Transferase

PDB id: 3lfq

Contents

Protein chain

289 a.a. *

Ligands

A28

Waters ×175

* Residue conservation analysis

PDB id:

3lfq

Name:

Transferase

Title:

Crystal structure of cdk2 with sar60, an aminoindazole type inhibitor

Structure:

Cell division protein kinase 2. Chain: a. Synonym: p33 protein kinase. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: cdk2. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108

Resolution:

2.03Å R-factor: 0.187 R-free: 0.241

Authors:

M.K.Dreyer,K.U.Wendt,S.Schimanski-Breves,P.Loenze

Key ref:

D.Lesuisse et al. (2010). Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2. Bioorg Med Chem Lett, 20, 1985-1989. PubMed id: 20167481

Date:

18-Jan-10 Release date: 02-Mar-10

Protein chain

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

Seq: 298 a.a.

Struc: 289 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

Bioorg Med Chem Lett 20:1985-1989 (2010)

PubMed id: 20167481

Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2.

D.Lesuisse, G.Dutruc-Rosset, G.Tiraboschi, M.K.Dreyer, S.Maignan, A.Chevalier, F.Halley, P.Bertrand, M.C.Burgevin, D.Quarteronet, T.Rooney.

ABSTRACT

From an HTS hit, a series of potent and selective inhibitors of GSK3beta have been designed based on a Cdk2-homology model and with the help of several crystal structures of the compounds within Cdk2.