› 8uat

X-ray diffraction
2.76Å resolution

Thermus scotoductus SA-01 Ene-reductase Compound 3b Complex

Released:
DOI: 10.2210/pdb8uat/pdb
PDB entry 8uat coloured by chain, front view.
PDB entry 8uat coloured by chain, side view.
PDB entry 8uat coloured by chain, top view.
Source organism: Thermus scotoductus SA-01
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:
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo octamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-271109 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NADH:flavin oxidoreductase/NADH oxidase N-terminal domain-containing protein Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 369 amino acids
Theoretical weight: 40.2 KDa
Source organism: Thermus scotoductus SA-01
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: E8PRF1 (Residues: 2-347; Coverage: 100%)
Gene name: TSC_p800090
Sequence domains: NADH:flavin oxidoreductase / NADH oxidase family

Ligands and Environments

5 bound ligands:
Ligand FMN 8 x FMN
Ligand W3X 4 x W3X
Ligand IPA 2 x IPA
Ligand NA 1 x NA
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P1
Unit cell:
a: 97.852Å b: 100.471Å c: 100.407Å
α: 89.8° β: 65.75° γ: 89.92°
R-values:
R R work R free
0.234 0.233 0.271
Expression system: Escherichia coli BL21(DE3)

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