› 8uas

X-ray diffraction
2.2Å resolution

Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 1a

Released:
DOI: 10.2210/pdb8uas/pdb
PDB entry 8uas coloured by chain, front view.
PDB entry 8uas coloured by chain, side view.
PDB entry 8uas coloured by chain, top view.
Source organism: Rhodococcus ruber
Primary publication:
Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Rocha RA, Wilson LA, Schwartz BD, Warden AC, Guddat LW, Speight RE, Malins L, Schenk G, Scott C
Catalysts 14 (2024)

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dodecamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-246679 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Rhodococcus ruber Alcohol Dehydrogenase Chain A Chains: A, B, C, D, E, F, G, H, I, J, K, L
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L
Length: 365 amino acids
Theoretical weight: 37.39 KDa
Source organism: Rhodococcus ruber
Expression system: Escherichia coli

Ligands and Environments

5 bound ligands:
Ligand IPA 7 x IPA
Ligand ZN 24 x ZN
Ligand NA 4 x NA
Ligand W3O 10 x W3O
Ligand CIT 1 x CIT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P21
Unit cell:
a: 78.144Å b: 157.745Å c: 272.429Å
α: 90° β: 91.06° γ: 90°
R-values:
R R work R free
0.182 0.182 0.21
Expression system: Escherichia coli

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