› 4rv8

X-ray diffraction
2.05Å resolution

Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Cryptosporidium parvum and the inhibitor p131

Released:
DOI: 10.2210/pdb4rv8/pdb
Model geometry
Fit model/data
PDB entry 4rv8 coloured by chain, front view.
PDB entry 4rv8 coloured by chain, side view.
PDB entry 4rv8 coloured by chain, top view.
Source organism: Cryptosporidium parvum
Primary publication:
Structure of Cryptosporidium IMP dehydrogenase bound to an inhibitor with in vivo antiparasitic activity.
Kim Y, Makowska-Grzyska M, Gorla SK, Gollapalli DR, Cuny GD, Joachimiak A, Hedstrom L
OpenAccess logo Acta Crystallogr F Struct Biol Commun 71 531-8 (2015)
PMID: 25945705

Function and Biology Details

Reaction catalysed: 
Inosine 5'-phosphate + NAD(+) + H(2)O = xanthosine 5'-phosphate + NADH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-186137 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Inosine-5'-monophosphate dehydrogenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 361 amino acids
Theoretical weight: 38.55 KDa
Source organism: Cryptosporidium parvum
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8T6T2 (Residues: 1-89, 135-400; Coverage: 89%)
Gene names: 56k.02, cgd6_20
Sequence domains: IMP dehydrogenase / GMP reductase domain
Structure domains: Aldolase class I

Ligands and Environments

4 bound ligands:
Ligand IMP 4 x IMP
Ligand I13 4 x I13
Ligand GOL 4 x GOL
Ligand PEG 2 x PEG
1 modified residue:
Ligand OCS 4 x OCS

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P21
Unit cell:
a: 89.188Å b: 91.832Å c: 92.021Å
α: 90° β: 103.75° γ: 90°
R-values:
R R work R free
0.189 0.187 0.229
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Cryptosporidium in humans and animals-a one health approach to prophylaxis.
Ryan et al. (2016)
1 more

2 mentions without citation

Inhibitors of inosine 5'-monophosphate dehydrogenase as emerging new generation antimicrobial agents.
Juvale et al. (2019)
1 more