PDBsum entry 4d9p

Transferase/transferase inhibitor

PDB id: 4d9p

Contents

Protein chains

264 a.a.

Ligands

SO4 ×10

Z17 ×2

Waters ×50

PDB id:

4d9p

Name:

Transferase/transferase inhibitor

Title:

Crystal structure of b. Anthracis dhps with compound 17

Structure:

Dihydropteroate synthase. Chain: a, b. Engineered: yes

Source:

Bacillus anthracis. Anthrax. Organism_taxid: 191218. Strain: a2012. Gene: folp. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

2.26Å R-factor: 0.236 R-free: 0.269

Authors:

D.Hammoudeh,R.E.Lee,S.W.White

Key ref:

Y.Zhao et al. (2012). Structure-based design of novel pyrimido[4,5-c]pyridazine derivatives as dihydropteroate synthase inhibitors with increased affinity. Chemmedchem, 7, 861-870. PubMed id: 22416048

Date:

11-Jan-12 Release date: 28-Mar-12

Protein chains

Q81VW8  (Q81VW8_BACAN) -  Dihydropteroate synthase from Bacillus anthracis

Seq: 280 a.a.

Struc: 264 a.a.

Enzyme reactions

• Enzyme class: E.C.2.5.1.15 - dihydropteroate synthase.
• Pathway: Folate Biosynthesis (late stages)
• Reaction: (7,8-dihydropterin-6-yl)methyl diphosphate + 4-aminobenzoate = 7,8- dihydropteroate + diphosphate

(7,8-dihydropterin-6-yl)methyl diphosphate + 4-aminobenzoate (Bound ligand (Het Group name = Z17) matches with 42.86% similarity) = 7,8- dihydropteroate + diphosphate

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

reference

Chemmedchem 7:861-870 (2012)

PubMed id: 22416048

Structure-based design of novel pyrimido[4,5-c]pyridazine derivatives as dihydropteroate synthase inhibitors with increased affinity.

Y.Zhao, D.Hammoudeh, M.K.Yun, J.Qi, S.W.White, R.E.Lee.

ABSTRACT

No abstract given.