› 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 4qj1 coloured by chain and viewed from the front.
PDB 4qj1 coloured by chain and viewed from the side.
PDB 4qj1 coloured by chain and viewed from the top.
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)
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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