› 8pbi

X-ray diffraction
1.5Å resolution

Mutant R1617Q of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoroorotate

Released:
DOI: 10.2210/pdb8pbi/pdb
PDB entry 8pbi coloured by chain, front view.
PDB entry 8pbi coloured by chain, side view.
PDB entry 8pbi coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
Del Caño-Ochoa F, Ng BG, Rubio-Del-Campo A, Mahajan S, Wilson MP, Vilar M, Rymen D, Sánchez-Pintos P, Kenny J, Ley Martos M, Campos T, Wortmann SB, Freeze HH, Ramón-Maiques S
J Inherit Metab Dis (2023)
PMID: 37540500

Function and Biology Details

Reactions catalysed: 
Carbamoyl phosphate + L-aspartate = phosphate + N-carbamoyl-L-aspartate
L-glutamine + H(2)O = L-glutamate + NH(3)
(S)-dihydroorotate + H(2)O = N-carbamoyl-L-aspartate
(1a) ATP + HCO(3)(-) = ADP + carboxyphosphate
(1a) L-glutamine + H(2)O = L-glutamate + NH(3)
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151062 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Multifunctional protein CAD Chain: A
Molecule details ›
Chain: A
Length: 362 amino acids
Theoretical weight: 39.67 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P27708 (Residues: 1460-1821; Coverage: 16%)
Gene name: CAD
Sequence domains: Amidohydrolase family

Ligands and Environments

3 bound ligands:
Ligand FOT 1 x FOT
Ligand FMT 3 x FMT
Ligand ZN 2 x ZN
1 modified residue:
Ligand KCX 1 x KCX

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: C2221
Unit cell:
a: 82.237Å b: 159.575Å c: 61.844Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.134 0.133 0.157
Expression system: Homo sapiens

Quick links