PDBsum entry 4gac

Oxidoreductase

PDB id: 4gac

Contents

Protein chains

324 a.a.

305 a.a.

Ligands

EDO ×2

FLC ×2

Waters ×991

PDB id:

4gac

Name:

Oxidoreductase

Title:

High resolution structure of mouse aldehyde reductase (akr1a4) in its apo-form

Structure:

Alcohol dehydrogenase [nadp(+)]. Chain: a, b. Synonym: aldehyde reductase, aldo-keto reductase family 1 member a1. Engineered: yes

Source:

Mus musculus. Mouse. Organism_taxid: 10090. Gene: akr1a1, akr1a4. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

1.64Å R-factor: 0.150 R-free: 0.178

Authors:

F.Faucher,Z.Jia

Key ref:

F.Faucher and Z.Jia (2012). High-resolution structure of AKR1a4 in the apo form and its interaction with ligands. Acta Crystallogr Sect F Struct Biol Cryst Commun, 68, 1271-1274. PubMed id: 23143230 DOI: 10.1107/S1744309112037128

Date:

25-Jul-12 Release date: 07-Nov-12

Protein chain

Q9JII6  (AK1A1_MOUSE) -  Aldo-keto reductase family 1 member A1 from Mus musculus

Seq: 325 a.a.

Struc: 324 a.a.

Protein chain

Q9JII6  (AK1A1_MOUSE) -  Aldo-keto reductase family 1 member A1 from Mus musculus

Seq: 325 a.a.

Struc: 305 a.a.

Enzyme reactions

• Enzyme class 1: Chains A, B: E.C.1.1.1.19 - glucuronate reductase.
• Pathway: Mammalian Ascorbic Acid Biosynthesis
• Reaction: L-gulonate + NADP⁺ = aldehydo-D-glucuronate + NADPH + H⁺

L-gulonate (Bound ligand (Het Group name = FLC) matches with 52.94% similarity) + NADP(+) = aldehydo-D-glucuronate + NADPH + H(+)

• Enzyme class 2: Chains A, B: E.C.1.1.1.2 - alcohol dehydrogenase (NADP(+)).
• Reaction: a primary alcohol + NADP⁺ = an aldehyde + NADPH + H⁺

primary alcohol (Bound ligand (Het Group name = EDO) matches with 40.00% similarity) + NADP(+) = aldehyde + NADPH + H(+)

• Cofactor: Zn(2+)
• Enzyme class 3: Chains A, B: E.C.1.1.1.20 - glucuronolactone reductase.
• Reaction: L-gulono-1,4-lactone + NADP⁺ = D-glucurono-3,6-lactone + NADPH + H⁺

L-gulono-1,4-lactone (Bound ligand (Het Group name = FLC) matches with 56.25% similarity) + NADP(+) = D-glucurono-3,6-lactone + NADPH + H(+)

• Enzyme class 4: Chains A, B: E.C.1.1.1.33 - Transferred entry: 1.1.1.2.
• Reaction: (R)-mevalonate + NADP⁺ = (R)-mevaldate + H⁺ + NADPH

(R)-mevalonate (Bound ligand (Het Group name = FLC) matches with 76.92% similarity) + NADP(+) = (R)-mevaldate + H(+) + NADPH

• Enzyme class 5: Chains A, B: E.C.1.1.1.372 - D/L-glyceraldehyde reductase.
• Reaction:
  1. glycerol + NADP⁺ = L-glyceraldehyde + NADPH + H⁺
  2. glycerol + NADP⁺ = D-glyceraldehyde + NADPH + H⁺

glycerol (Bound ligand (Het Group name = EDO) matches with 66.67% similarity) + NADP(+) = L-glyceraldehyde + NADPH + H(+)

glycerol (Bound ligand (Het Group name = EDO) matches with 66.67% similarity) + NADP(+) = D-glyceraldehyde + NADPH + H(+)

• Enzyme class 6: Chains A, B: E.C.1.1.1.54 - allyl-alcohol dehydrogenase.
• Reaction: allyl alcohol + NADP⁺ = acrolein + NADPH + H⁺

allyl alcohol (Bound ligand (Het Group name = EDO) matches with 60.00% similarity) + NADP(+) = acrolein + NADPH + H(+)

Note, where more than one E.C. class is given (as above), each may correspond to a different protein domain or, in the case of polyprotein precursors, to a different mature protein.

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

reference

DOI no: 10.1107/S1744309112037128

Acta Crystallogr Sect F Struct Biol Cryst Commun 68:1271-1274 (2012)

PubMed id: 23143230

High-resolution structure of AKR1a4 in the apo form and its interaction with ligands.

F.Faucher, Z.Jia.

ABSTRACT

No abstract given.