› 1p4r

X-ray diffraction
2.55Å resolution

Crystal Structure of Human ATIC in complex with folate-based inhibitor BW1540U88UD

Released:
DOI: 10.2210/pdb1p4r/pdb
PDB entry 1p4r coloured by chain, front view.
PDB entry 1p4r coloured by chain, side view.
PDB entry 1p4r coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of human bifunctional enzyme aminoimidazole-4-carboxamide ribonucleotide transformylase/IMP cyclohydrolase in complex with potent sulfonyl-containing antifolates.
Cheong CG, Wolan DW, Greasley SE, Horton PA, Beardsley GP, Wilson IA
J Biol Chem 279 18034-45 (2004)
PMID: 14966129

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 domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152108 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional purine biosynthesis protein ATIC Chains: A, B
Molecule details ›
Chains: A, B
Length: 592 amino acids
Theoretical weight: 64.69 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P31939 (Residues: 1-592; Coverage: 100%)
Gene names: ATIC, OK/SW-cl.86, PURH
Sequence domains:
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand K 2 x K
Ligand AMZ 2 x AMZ
Ligand 354 2 x 354
Ligand XMP 1 x XMP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P212121
Unit cell:
a: 83.595Å b: 93.035Å c: 164.192Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.189 0.257
Expression system: Escherichia coli

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Citations

2 review citations

Utility of the Biosynthetic Folate Pathway for Targets in Antimicrobial Discovery.
Bourne CR. (2014)
1 more

9 mentions without citation

Structural biology of the purine biosynthetic pathway.
Zhang et al. (2008)
8 more