› 4j2h

X-ray diffraction
2.1Å resolution

Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708)

Released:
DOI: 10.2210/pdb4j2h/pdb
PDB entry 4j2h coloured by chain, front view.
PDB entry 4j2h coloured by chain, side view.
PDB entry 4j2h coloured by chain, top view.
Source organism: Sinorhizobium meliloti 1021
Entry authors: Sampathkumar P, Gizzi A, Ahmed M, Banu N, Bhosle R, Bonanno J, Chamala S, Chowdhury S, Fiser A, Glenn AS, Hammonds J, Hillerich B, Khafizov K, Lafleur J, Love JD, Stead M, Seidel R, Toro R, Almo SC, New York Structural Genomics Research Consortium (NYSGRC)

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187989 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Short chain alcohol dehydrogenase-related dehydrogenase Chain: A
Molecule details ›
Chain: A
Length: 257 amino acids
Theoretical weight: 27.05 KDa
Source organism: Sinorhizobium meliloti 1021
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q930I9 (Residues: 1-255; Coverage: 100%)
Gene name: SMa0389
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

3 bound ligands:
Ligand EDO 5 x EDO
Ligand NA 1 x NA
Ligand 1PE 1 x 1PE
1 modified residue:
Ligand MSE 5 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P6422
Unit cell:
a: 103.875Å b: 103.875Å c: 101.165Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.19 0.189 0.215
Expression system: Escherichia coli BL21(DE3)

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