PDBsum entry 7pcl

Lyase

PDB id: 7pcl

Contents

Protein chains

340 a.a.

Ligands

NAD ×2

76I ×2

Metals

_MG ×4

Waters ×220

PDB id:

7pcl

Name:

Lyase

Title:

Burg (holo) in complex with 2-hydroxy-2-(hydroxy(isopropyl)amino) acetate (11): biosynthesis of cyclopropanolrings in bacterial toxins

Structure:

Ketol-acid reductoisomerase. Chain: a, b. Engineered: yes

Source:

Burkholderia thailandensis (strain atcc 700388 / dsm 13276 / cip 106301 / e264). Organism_taxid: 271848. Strain: atcc 700388 / dsm 13276 / cip 106301 / e264. Gene: ilvc-2, bth_ii2094. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008

Resolution:

2.05Å R-factor: 0.190 R-free: 0.218

Authors:

F.Trottmann,K.Ishida,M.Ishida,H.Kries,M.Groll,C.Hertweck

Key ref:

F.Trottmann et al. Pathogenic bacteria remodel central metabolic enzyme build a cyclopropanol warhead.. Nat chem, . PubMed id: 35906404

Date:

03-Aug-21 Release date: 10-Aug-22

Protein chains

Q2T3G7  (Q2T3G7_BURTA) -  Ketol-acid reductoisomerase (NADP(+)) from Burkholderia thailandensis (strain ATCC 700388 / DSM 13276 / CCUG 48851 / CIP 106301 / E264)

Seq: 353 a.a.

Struc: 340 a.a.

Enzyme reactions

• Enzyme class: E.C.1.1.1.86 - ketol-acid reductoisomerase (NADP(+)).
• Pathway: Isoleucine and Valine Biosynthesis
• Reaction:
  1. (2R)-2,3-dihydroxy-3-methylbutanoate + NADP⁺ = (2S)-2-acetolactate + NADPH + H⁺
  2. (2R,3R)-2,3-dihydroxy-3-methylpentanoate + NADP⁺ = (S)-2-ethyl-2- hydroxy-3-oxobutanoate + NADPH + H⁺

(2R)-2,3-dihydroxy-3-methylbutanoate + NADP(+) (Bound ligand (Het Group name = NAD) matches with 91.67% similarity) = (2S)-2-acetolactate + NADPH + H(+)

(2R,3R)-2,3-dihydroxy-3-methylpentanoate + NADP(+) (Bound ligand (Het Group name = NAD) matches with 91.67% similarity) = (S)-2-ethyl-2- hydroxy-3-oxobutanoate + NADPH + H(+)

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