PDBsum entry 3r00

Transferase/transferase inhibitor

PDB id: 3r00

Contents

Protein chain

274 a.a.

Ligands

IMD

UNJ

Waters ×183

PDB id:

3r00

Name:

Transferase/transferase inhibitor

Title:

The discovery of novel benzofuran-2-carboxylic acids as potent pim-1 inhibitors

Structure:

Proto-oncogene serine/threonine-protein kinase pim-1. Chain: a. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: pim1. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

2.10Å R-factor: 0.175 R-free: 0.216

Authors:

J.Liu

Key ref:

Y.Xiang et al. (2011). The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors. Bioorg Med Chem Lett, 21, 3050-3056. PubMed id: 21507633

Date:

07-Mar-11 Release date: 11-May-11

Protein chain

P11309  (PIM1_HUMAN) -  Serine/threonine-protein kinase pim-1 from Homo sapiens

Seq: 313 a.a.

Struc: 274 a.a.

Enzyme reactions

• Enzyme class: 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

reference

Bioorg Med Chem Lett 21:3050-3056 (2011)

PubMed id: 21507633

The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.

Y.Xiang, B.Hirth, G.Asmussen, H.P.Biemann, K.A.Bishop, A.Good, M.Fitzgerald, T.Gladysheva, A.Jain, K.Jancsics, J.Liu, M.Metz, A.Papoulis, R.Skerlj, J.D.Stepp, R.R.Wei.

ABSTRACT

No abstract given.