› 1c2t

X-ray diffraction
2.1Å resolution

NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLASE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID.

Released:
DOI: 10.2210/pdb1c2t/pdb
PDB entry 1c2t coloured by chain, front view.
PDB entry 1c2t coloured by chain, side view.
PDB entry 1c2t coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
New insights into inhibitor design from the crystal structure and NMR studies of Escherichia coli GAR transformylase in complex with beta-GAR and 10-formyl-5,8,10-trideazafolic acid.
Greasley SE, Yamashita MM, Cai H, Benkovic SJ, Boger DL, Wilson IA
Biochemistry 38 16783-93 (1999)
PMID: 10606510

Function and Biology Details

Reaction catalysed: 
10-formyltetrahydrofolate + N(1)-(5-phospho-D-ribosyl)glycinamide = tetrahydrofolate + N(2)-formyl-N(1)-(5-phospho-D-ribosyl)glycinamide
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139986 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phosphoribosylglycinamide formyltransferase Chains: A, B
Molecule details ›
Chains: A, B
Length: 212 amino acids
Theoretical weight: 23.27 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P08179 (Residues: 1-212; Coverage: 100%)
Gene names: JW2485, b2500, purN
Sequence domains: Formyl transferase
Structure domains: Formyl transferase, N-terminal domain

Ligands and Environments

2 bound ligands:
Ligand NHS 2 x NHS
Ligand GAR 2 x GAR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-1
Spacegroup: P21
Unit cell:
a: 40.25Å b: 112.79Å c: 46.96Å
α: 90° β: 101.5° γ: 90°
R-values:
R R work R free
0.227 0.227 0.265
Expression system: Escherichia coli

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Citations

1 review citation

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

14 mentions without citation

Benchmarking sets for molecular docking.
Huang et al. (2006)
13 more