6w2j

X-ray diffraction
2.62Å resolution

CPS1 bound to allosteric inhibitor H3B-374

Released:

Function and Biology Details

Reaction catalysed:
(1a) ATP + HCO(3)(-) = ADP + carboxyphosphate
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbamoyl-phosphate synthase [ammonia], mitochondrial Chains: A, B
Molecule details ›
Chains: A, B
Length: 1500 amino acids
Theoretical weight: 165.13 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P31327 (Residues: 1-1500; Coverage: 100%)
Gene name: CPS1
Sequence domains:

Ligands and Environments

3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X17B1
Spacegroup: P1
Unit cell:
a: 71.66Å b: 98.53Å c: 142.53Å
α: 102.13° β: 97.94° γ: 106.11°
R-values:
R R work R free
0.193 0.19 0.25
Expression system: Spodoptera frugiperda