PDBsum entry 3vbx

Transferase/transferase inhibitor

PDB id: 3vbx

Contents

Protein chain

268 a.a.

Ligands

0FO

Waters ×152

PDB id:

3vbx

Name:

Transferase/transferase inhibitor

Title:

Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in pim-1 kinase needle screening and inhibitor design

Structure:

Serine/threonine-protein kinase pim-1. Chain: a. Fragment: unp residues 120-404. Engineered: yes

Source:

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

Resolution:

2.03Å R-factor: 0.220 R-free: 0.258

Authors:

J.Liu

Key ref:

A.C.Good et al. (2012). Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. J Med Chem, 55, 2641-2648. PubMed id: 22339127

Date:

02-Jan-12 Release date: 21-Mar-12

Protein chain

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

Seq: 313 a.a.

Struc: 268 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

J Med Chem 55:2641-2648 (2012)

PubMed id: 22339127

Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.

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

ABSTRACT

No abstract given.