PDBsum entry 3jw3

Oxidoreductase/oxidoreductase inhibitor

PDB id: 3jw3

Contents

Protein chains

165 a.a. *

Ligands

NDP ×2

TOP ×2

Waters ×38

* Residue conservation analysis

PDB id:

3jw3

Name:

Oxidoreductase/oxidoreductase inhibitor

Title:

Crystal structure of bacillus anthracis (f96i) dihydrofolate reductase complexed with NADPH and trimethoprim

Structure:

Dihydrofolate reductase. Chain: a, b. Engineered: yes. Mutation: yes

Source:

Bacillus anthracis. Organism_taxid: 1392. Gene: bas2083, bas2084, ba_2237, dfra, gbaa2237, gbaa_2237. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

2.57Å R-factor: 0.221 R-free: 0.262

Authors:

A.C.Anderson,J.M.Beierlein,N.G.Karri

Key ref:

J.M.Beierlein et al. Mutational studies into trimethoprim resistance in ba anthracis dihydrofolate reductase. To be published, .

Date:

17-Sep-09 Release date: 15-Sep-10

Protein chains

Q81R22  (Q81R22_BACAN) -  Dihydrofolate reductase from Bacillus anthracis

Seq: 162 a.a.

Struc: 165 a.a.*

* PDB and UniProt seqs differ at 2 residue positions (black crosses)

Enzyme reactions

• Enzyme class: E.C.1.5.1.3 - dihydrofolate reductase.
• Pathway: Folate Coenzymes
• Reaction: (6S)-5,6,7,8-tetrahydrofolate + NADP⁺ = 7,8-dihydrofolate + NADPH + H⁺

(6S)-5,6,7,8-tetrahydrofolate + NADP(+) (Bound ligand (Het Group name = NDP) corresponds exactly) = 7,8-dihydrofolate + NADPH + H(+)

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