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MolNFT v1 · #16676 · protein

Crystal structure of an ATP phosphoribosyltransferase

1O64: “Crystal structure of an ATP phosphoribosyltransferase”. X-ray diffraction, 1 ligand (PO4), 1 pocket (best druggability 0.67). MolNFT v1 #16676 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1O64
Type
protein
Length
403 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATP phosphoribosyltransferase
EC
2.4.2.17
UniProt
Q9X0D2
Ligands
PO4
Pockets
1 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AATP phosphoribosyltransferase (EC 2.4.2.17)protein20334% helix, 34% strandQ9X0D2
BATP phosphoribosyltransferase (EC 2.4.2.17)protein20034% helix, 37% strandQ9X0D2

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

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17540.670.7587PO4

Interfaces

1 interface between chains.

  • A–B · 1113 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 1O64 · Crystal structure of an ATP phosphoribosyltransferase · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9X0D2 · AlphaFold monomer V2.0 prediction for ATP phosphoribosyltransferase (Q9X0D2) · a predicted model of the same protein · chain B against A, TM-score 0.99

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