› 4qj1

X-ray diffraction
2.42Å resolution

Co-crystal structure of the catalytic domain of the inosine monophosphate dehydrogenase from Cryptosporidium parvum with inhibitor N109

Released:
DOI: 10.2210/pdb4qj1/pdb
PDB entry 4qj1 coloured by chain, front view.
PDB entry 4qj1 coloured by chain, side view.
PDB entry 4qj1 coloured by chain, top view.
Source organism: Cryptosporidium parvum
Entry authors: Kim Y, Makowska-Grzyska M, Gu M, Hedstrom L, Anderson WF, Joachimiak A, Center for Structural Genomics of Infectious Diseases (CSGID)

Function and Biology Details

Reaction catalysed: 
Inosine 5'-phosphate + NAD(+) + H(2)O = xanthosine 5'-phosphate + NADH
Biochemical function:
Biological process:
Cellular component:
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: 38.51 KDa
Source organism: Cryptosporidium parvum
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8T6T2 (Residues: 1-400; Coverage: 90%)
Gene names: 56k.02, cgd6_20
Sequence domains: IMP dehydrogenase / GMP reductase domain
Structure domains: Aldolase class I

Ligands and Environments

5 bound ligands:
Ligand IMP 4 x IMP
Ligand N09 4 x N09
Ligand ACY 1 x ACY
Ligand EDO 3 x EDO
Ligand FMT 1 x FMT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P21
Unit cell:
a: 90.412Å b: 92.337Å c: 91.914Å
α: 90° β: 104.24° γ: 90°
R-values:
R R work R free
0.205 0.202 0.258
Expression system: Escherichia coli BL21(DE3)

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