PDBsum entry 6drs

Antifungal protein/inhibitor

PDB id: 6drs

Contents

Protein chain

244 a.a.

Ligands

SO4 ×5

H8A

NAP

Waters ×160

PDB id:

6drs

Name:

Antifungal protein/inhibitor

Title:

Dihydrofolate reductase (dhfr) of aspergillus flavus in complex with a small molecule inhibitor

Structure:

Dihydrofolate reductase, putative. Chain: a. Engineered: yes

Source:

Aspergillus flavus. Organism_taxid: 332952. Strain: atcc 200026 / fgsc a1120 / nrrl 3357 / jcm 12722 / srrc 167. Gene: afla_046100. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

2.00Å R-factor: 0.221 R-free: 0.259

Authors:

D.C.Bensen,J.M.Fortier,S.Akers-Rodriguez,L.W.Tari

Key ref:

D.C.Bensen et al. Prospecting for broad-Spectrum inhibitors of fungal dihydrofolate reductase using a structure guided appr. To be published, .

Date:

12-Jun-18 Release date: 19-Jun-19

Protein chain

B8NBN5  (B8NBN5_ASPFN) -  Dihydrofolate reductase from Aspergillus flavus (strain ATCC 200026 / FGSC A1120 / IAM 13836 / NRRL 3357 / JCM 12722 / SRRC 167)

Seq: 248 a.a.

Struc: 244 a.a.

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 = NAP) corresponds exactly) = 7,8-dihydrofolate + NADPH + H(+)

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