› 4my9

X-ray diffraction
2.59Å resolution

Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor C91

Released:
DOI: 10.2210/pdb4my9/pdb
PDB entry 4my9 coloured by chain, front view.
PDB entry 4my9 coloured by chain, side view.
PDB entry 4my9 coloured by chain, top view.
Source organism: Bacillus anthracis str. Ames
Entry authors: Kim Y, Makowska-Grzyska M, Gu M, Gorla SK, Hedstrom L, Anderson WF, Joachimiak A, CSGID, 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:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-105723 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Inosine-5'-monophosphate dehydrogenase Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 384 amino acids
Theoretical weight: 40.71 KDa
Source organism: Bacillus anthracis str. Ames
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: A0A6L8P2U9 (Residues: 1-91, 221-487; Coverage: 74%)
Gene names: GBAA_0008, guaB
Sequence domains: IMP dehydrogenase / GMP reductase domain
Structure domains: Aldolase class I

Ligands and Environments

3 bound ligands:
Ligand IMP 8 x IMP
Ligand C91 8 x C91
Ligand MLI 9 x MLI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P1
Unit cell:
a: 84.93Å b: 89.883Å c: 104.621Å
α: 98.7° β: 90.32° γ: 96.46°
R-values:
R R work R free
0.172 0.17 0.216
Expression system: Escherichia coli BL21

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