PDBsum entry 3pj8

Transferase/transferase inhibitor

PDB id: 3pj8

Contents

Protein chain

288 a.a.

Ligands

404

Waters ×146

PDB id:

3pj8

Name:

Transferase/transferase inhibitor

Title:

Structure of cdk2 in complex with a pyrazolo[4,3-d]pyrimidine bioisostere of roscovitine.

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: escherichia coli. Expression_system_taxid: 562

Resolution:

1.96Å R-factor: 0.206 R-free: 0.273

Authors:

I.W.Mcnae,R.Jorda,L.Havlicek,M.Strnad,J.Voller,M.D.Walkinshaw, V.Krystof

Key ref:

R.Jorda et al. (2011). Pyrazolo[4,3-d]pyrimidine bioisostere of roscovitine: evaluation of a novel selective inhibitor of cyclin-dependent kinases with antiproliferative activity. J Med Chem, 54, 2980-2993. PubMed id: 21417417

Date:

09-Nov-10 Release date: 06-Apr-11

Protein chain

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

Seq: 298 a.a.

Struc: 288 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

J Med Chem 54:2980-2993 (2011)

PubMed id: 21417417

Pyrazolo[4,3-d]pyrimidine bioisostere of roscovitine: evaluation of a novel selective inhibitor of cyclin-dependent kinases with antiproliferative activity.

R.Jorda, L.Havlícek, I.W.McNae, M.D.Walkinshaw, J.Voller, A.Sturc, J.Navrátilová, M.Kuzma, M.Mistrík, J.Bártek, M.Strnad, V.Krystof.

ABSTRACT

No abstract given.