PDBsum entry 7mgo

Oxidoreductase

PDB id: 7mgo

Contents

Protein chains

489 a.a.

518 a.a.

Ligands

FDA ×2

COM ×2

Metals

_MG ×2

Waters ×667

PDB id:

7mgo

Name:

Oxidoreductase

Title:

Crystal structure of f501h variant of 2-ketopropyl coenzyme m oxidoreductase/carboxylase (2-kpcc) from xanthobacter autotrophicus

Structure:

2-oxopropyl-com reductase, carboxylating. Chain: a, b. Synonym: aliphatic epoxide carboxylation component ii,nadph:2- ketopropyl-com carboxylase/oxidoreductase,2-kpcc. Engineered: yes. Mutation: yes

Source:

Xanthobacter autotrophicus py2. Organism_taxid: 78245. Strain: atcc baa-1158 / py2. Gene: xecc, xaut_4867. Expressed in: escherichia coli 'bl21-gold(de3)plyss ag'. Expression_system_taxid: 866768

Resolution:

1.85Å R-factor: 0.173 R-free: 0.203

Authors:

G.Prussia,O.A.Zadvornyy,J.W.Peters

Key ref:

G.A.Prussia et al. (2021). The unique phe-His dyad of 2-Ketopropyl coenzyme m oxidoreductase/carboxylase selectively promotes carboxylation and s-C bond cleavage.. J biol chem, 297, 00961. PubMed id: 34265301

Date:

13-Apr-21 Release date: 21-Jul-21

Protein chain

Q56839  (XECC_XANP2) -  2-oxopropyl-CoM reductase, carboxylating from Xanthobacter autotrophicus (strain ATCC BAA-1158 / Py2)

Seq: 523 a.a.

Struc: 489 a.a.*

Protein chain

Q56839  (XECC_XANP2) -  2-oxopropyl-CoM reductase, carboxylating from Xanthobacter autotrophicus (strain ATCC BAA-1158 / Py2)

Seq: 523 a.a.

Struc: 518 a.a.*

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

Enzyme reactions

• Enzyme class: Chains A, B: E.C.1.8.1.5 - 2-oxopropyl-CoM reductase (carboxylating).
• Pathway: Epoxide Carboxylation
• Reaction: coenzyme M + acetoacetate + NADP⁺ = 2-oxopropyl-coenzyme M + CO2 + NADPH

coenzyme M + acetoacetate (Bound ligand (Het Group name = COM) corresponds exactly) + NADP(+) (Bound ligand (Het Group name = FDA) matches with 71.19% similarity) = 2-oxopropyl-coenzyme M + CO2 + NADPH

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