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Crystal structure of glycinamide ribonucleotide transformylase from escherichia COLI at 3.0 ångströms resolution: a target enzyme for chemotherapy

Analyse Crystal structure of glycinamide ribonucleotide transformylase from escherichia… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1GRC
Type
protein
Length
384 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycinamide ribonucleotide transformylase
EC
2.1.2.2
UniProt
P08179
Ligands
PO4
Pockets
3 · best druggability 0.38

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlycinamide ribonucleotide transformylase (EC 2.1.2.2)protein19335% helix, 27% strandP08179
BGlycinamide ribonucleotide transformylase (EC 2.1.2.2)protein19134% helix, 24% strandP08179

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11130.380.7524PO4
2730.320.7418PO4
3620.250.7216empty

Interfaces

1 interface between chains.

  • A–B · 826 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 1GRC · Crystal structure of glycinamide ribonucleotide transformylase from escherichia COLI at… · the same entry in another collection · chain A against A, TM-score 1.00
  • P08179 · AlphaFold monomer V2.0 prediction for phosphoribosylglycinamide formyltransferase (P08179) · a predicted model of the same protein · chain A against A, TM-score 0.97

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