› 3mo7

X-ray diffraction
1.35Å resolution

Crystal structure of human orotidine 5'-monophosphate decarboxylase covalently modified by 2'-fluoro-6-iodo-UMP

Released:
DOI: 10.2210/pdb3mo7/pdb
PDB entry 3mo7 coloured by chain, front view.
PDB entry 3mo7 coloured by chain, side view.
PDB entry 3mo7 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Novel interactions of fluorinated nucleotide derivatives targeting orotidine 5'-monophosphate decarboxylase.
Lewis M, Meza-Avina ME, Wei L, Crandall IE, Bello AM, Poduch E, Liu Y, Paige CJ, Kain KC, Pai EF, Kotra LP
J Med Chem 54 2891-901 (2011)
PMID: 21417464

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 Chain: A
Molecule details ›
Chain: A
Length: 279 amino acids
Theoretical weight: 30.47 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P11172 (Residues: 223-480; Coverage: 54%)
Gene names: OK/SW-cl.21, UMPS
Sequence domains: Orotidine 5'-phosphate decarboxylase / HUMPS family
Structure domains: Aldolase class I

Ligands and Environments

2 bound ligands:
Ligand UFT 1 x UFT
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CLSI BEAMLINE 08ID-1
Spacegroup: C2221
Unit cell:
a: 78.499Å b: 116.035Å c: 62.103Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.156 0.155 0.175
Expression system: Escherichia coli BL21(DE3)

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Citations

2 citation in other articles

Identification of novel class of falcipain-2 inhibitors as potential antimalarial agents.
Chakka et al. (2015)
1 more