› 2b1i

X-ray diffraction
2.02Å resolution

crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase

Released:
DOI: 10.2210/pdb2b1i/pdb
PDB entry 2b1i coloured by chain, front view.
PDB entry 2b1i coloured by chain, side view.
PDB entry 2b1i coloured by chain, top view.
Source organism: Gallus gallus
Primary publication:
Structure-based design, synthesis, evaluation, and crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase.
Xu L, Chong Y, Hwang I, D'Onofrio A, Amore K, Beardsley GP, Li C, Olson AJ, Boger DL, Wilson IA
J Biol Chem 282 13033-46 (2007)
PMID: 17324932

Function and Biology Details

Reactions catalysed: 
10-formyltetrahydrofolate + 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide = tetrahydrofolate + 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide
IMP + H(2)O = 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151981 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional purine biosynthesis protein ATIC Chains: A, B
Molecule details ›
Chains: A, B
Length: 593 amino acids
Theoretical weight: 64.5 KDa
Source organism: Gallus gallus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P31335 (Residues: 1-593; Coverage: 100%)
Gene names: ATIC, PURH
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand K 2 x K
Ligand 93A 4 x 93A
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: P21
Unit cell:
a: 56Å b: 106.5Å c: 101Å
α: 90° β: 91.5° γ: 90°
R-values:
R R work R free
0.251 0.198 0.249
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Structural biology of the purine biosynthetic pathway.
Zhang et al. (2008)
5 other articles