› 3rf7

X-ray diffraction
2.12Å resolution

Crystal structure of an Iron-containing alcohol dehydrogenase (Sden_2133) from Shewanella denitrificans OS-217 at 2.12 A resolution

Released:
DOI: 10.2210/pdb3rf7/pdb
PDB entry 3rf7 coloured by chain, front view.
PDB entry 3rf7 coloured by chain, side view.
PDB entry 3rf7 coloured by chain, top view.
Source organism: Shewanella denitrificans OS217
Entry author: Joint Center for Structural Genomics (JCSG)

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171488 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Alcohol dehydrogenase iron-type/glycerol dehydrogenase GldA domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 375 amino acids
Theoretical weight: 42.63 KDa
Source organism: Shewanella denitrificans OS217
Expression system: Escherichia coli
UniProt:
  • Canonical: Q12MB1 (Residues: 1-356; Coverage: 100%)
Gene name: Sden_2133
Sequence domains: Iron-containing alcohol dehydrogenase
Structure domains:

Ligands and Environments

8 bound ligands:
Ligand UNL 1 x UNL
Ligand NAD 1 x NAD
Ligand EPE 1 x EPE
Ligand FE 1 x FE
Ligand NI 1 x NI
Ligand CL 4 x CL
Ligand CA 2 x CA
Ligand PEG 2 x PEG
1 modified residue:
Ligand MSE 17 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: I4122
Unit cell:
a: 121.074Å b: 121.074Å c: 275.666Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.182 0.197
Expression system: Escherichia coli

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