PDBsum entry 3t3u

Transferase/transferase inhibitor

PDB id: 3t3u

Contents

Protein chain

452 a.a.

Ligands

BK6

DMS

EDO ×3

Waters ×113

PDB id:

3t3u

Name:

Transferase/transferase inhibitor

Title:

Calcium-dependent protein kinase 1 from toxoplasma gondii (tgcdpk1) in complex with bumped kinase inhibitor, rm-1-130

Structure:

Calmodulin-domain protein kinase 1. Chain: a. Synonym: calmodulin-domain protein kinase, putative. Engineered: yes

Source:

Toxoplasma gondii. Organism_taxid: 5811. Gene: aag53993, cdpk1, tggt1_059880, tgveg_042030. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

2.10Å R-factor: 0.196 R-free: 0.237

Authors:

E.T.Larson,E.A.Merritt

Key ref:

E.T.Larson et al. (2012). Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J Med Chem, 55, 2803-2810. PubMed id: 22369268

Date:

25-Jul-11 Release date: 14-Mar-12

Protein chain

Q9BJF5  (Q9BJF5_TOXGO) -  Calmodulin-domain protein kinase 1 from Toxoplasma gondii

Seq: 507 a.a.

Struc: 452 a.a.

Enzyme reactions

• Enzyme class: E.C.2.7.11.17 - calcium/calmodulin-dependent 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⁺
• Cofactor: Ca(2+)

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

reference

J Med Chem 55:2803-2810 (2012)

PubMed id: 22369268

Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.

E.T.Larson, K.K.Ojo, R.C.Murphy, S.M.Johnson, Z.Zhang, J.E.Kim, D.J.Leibly, A.M.Fox, M.C.Reid, E.J.Dale, B.G.Perera, J.Kim, S.N.Hewitt, W.G.Hol, C.L.Verlinde, E.Fan, W.C.Van Voorhis, D.J.Maly, E.A.Merritt.

ABSTRACT

No abstract given.