› 3rog

X-ray diffraction
2.05Å resolution

Crystal Structure of Mouse Apolipoprotein A-I Binding Protein in Complex with Thymidine 3'-monophosphate

Released:
DOI: 10.2210/pdb3rog/pdb
PDB entry 3rog coloured by chain, front view.
PDB entry 3rog coloured by chain, side view.
PDB entry 3rog coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Identification of unknown protein function using metabolite cocktail screening.
Shumilin IA, Cymborowski M, Chertihin O, Jha KN, Herr JC, Lesley SA, Joachimiak A, Minor W
Structure 20 1715-25 (2012)
PMID: 22940582

Function and Biology Details

Reaction catalysed: 
(6R)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide = (6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
homo dimer (preferred)
homo hexamer
Assembly name:
PDBe Complex ID:
PDB-CPX-185092 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NAD(P)H-hydrate epimerase Chain: A
Molecule details ›
Chain: A
Length: 265 amino acids
Theoretical weight: 29.87 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8K4Z3 (Residues: 25-282; Coverage: 92%)
Gene names: Aibp, Apoa1bp, Naxe
Sequence domains: YjeF-related protein N-terminus
Structure domains: YjeF N-terminal domain

Ligands and Environments

2 bound ligands:
Ligand T3P 1 x T3P
Ligand SO4 1 x SO4
1 modified residue:
Ligand MSE 8 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: R32
Unit cell:
a: 126.094Å b: 126.094Å c: 110.962Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.18 0.179 0.201
Expression system: Escherichia coli

Quick links

Citations

11 review citations

Zebrafish models of dyslipidemia: relevance to atherosclerosis and angiogenesis.
Fang et al. (2014)
10 more

1 mention without citation

Benchmark Sets for Binding Hot Spot Identification in Fragment-Based Ligand Discovery.
Wakefield et al. (2020)