› 4hib

X-ray diffraction
1.8Å resolution

Crystal structure of human orotidine 5'-monophosphate decarboxylase complexed with CMP-N4-OH

Released:
DOI: 10.2210/pdb4hib/pdb
PDB entry 4hib coloured by chain, front view.
PDB entry 4hib coloured by chain, side view.
PDB entry 4hib coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Novel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist.
Purohit MK, Poduch E, Wei LW, Crandall IE, To T, Kain KC, Pai EF, Kotra LP
J Med Chem 55 9988-97 (2012)
PMID: 22991951

Function and Biology Details

Reactions catalysed: 
Orotidine 5'-phosphate + diphosphate = orotate + 5-phospho-alpha-D-ribose 1-diphosphate
Orotidine 5'-phosphate = UMP + CO(2)
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145693 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Uridine 5'-monophosphate synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 312 amino acids
Theoretical weight: 34.05 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11172 (Residues: 190-480; Coverage: 61%)
Gene names: OK/SW-cl.21, UMPS
Sequence domains: Orotidine 5'-phosphate decarboxylase / HUMPS family
Structure domains: Aldolase class I

Ligands and Environments

3 bound ligands:
Ligand GOL 1 x GOL
Ligand CL 2 x CL
Ligand 16B 2 x 16B
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CLSI BEAMLINE 08ID-1
Spacegroup: P21
Unit cell:
a: 69.78Å b: 61.64Å c: 71.37Å
α: 90° β: 112.08° γ: 90°
R-values:
R R work R free
0.195 0.19 0.223
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Design of inhibitors of ODCase.
Mundra et al. (2014)
2 other articles