› 5uos

X-ray diffraction
2.51Å resolution

Crystal Structure of CblC (MMACHC) (1-238), a human B12 processing enzyme, complexed with an Antivitamin B12

Released:
DOI: 10.2210/pdb5uos/pdb
PDB entry 5uos coloured by chain, front view.
PDB entry 5uos coloured by chain, side view.
PDB entry 5uos coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Antivitamin B12 Inhibition of the Human B12 -Processing Enzyme CblC: Crystal Structure of an Inactive Ternary Complex with Glutathione as the Cosubstrate.
Ruetz M, Shanmuganathan A, Gherasim C, Karasik A, Salchner R, Kieninger C, Wurst K, Banerjee R, Koutmos M, Kräutler B
Angew Chem Int Ed Engl 56 7387-7392 (2017)
PMID: 28544088

Function and Biology Details

Reactions catalysed: 
2 cob(II)alamin-[cyanocobalamin reductase] + 2 hydrogen cyanide + NADP(+) = 2 cyanocob(III)alamin + 2 [cyanocobalamin reductase] + NADPH
An alkylcobalamin + [alkylcobalamin reductase] + glutathione = cob(I)alamin-[alkylcobalamin reductase] + an S-alkylglutathione
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-195250 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cyanocobalamin reductase / alkylcobalamin dealkylase Chain: A
Molecule details ›
Chain: A
Length: 241 amino acids
Theoretical weight: 27.49 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9Y4U1 (Residues: 1-238; Coverage: 84%)
Gene name: MMACHC
Sequence domains: Methylmalonic aciduria and homocystinuria type C family

Ligands and Environments

6 bound ligands:
Ligand B12 1 x B12
Ligand 8FS 1 x 8FS
Ligand GSH 1 x GSH
Ligand 171 1 x 171
Ligand SO4 2 x SO4
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P6122
Unit cell:
a: 114.432Å b: 114.432Å c: 150.631Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.178 0.176 0.214
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Antivitamins B12 -Some Inaugural Milestones.
Kräutler B. (2020)
1 more

7 mentions without citation

Antivitamin B12 Inhibition of the Human B12 -Processing Enzyme CblC: Crystal Structure of an Inactive Ternary Complex with Glutathione as the Cosubstrate.
Ruetz et al. (2017)
6 more