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MolNFT v1 · #141889 · protein

Crystal structure of aprt from Y. pseudotuberculosis in complex with adenine.

5ZMI · Adenine phosphoribosyltransferase: “Crystal structure of aprt from Y. pseudotuberculosis in complex with adenine.”. X-ray diffraction, 2 ligands (ADE, NA), 1 pocket (best druggability 0.50). MolNFT v1 #141889 on GenesisL1: 3D…

PDB
5ZMI
Type
protein
Length
178 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Adenine phosphoribosyltransferase
EC
2.4.2.7
UniProt
Q66DQ2
Ligands
ADE, NA
Pockets
1 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAdenine phosphoribosyltransferase (EC 2.4.2.7)protein17834% helix, 32% strandQ66DQ2

Ligands and binding sites

  • ADE · Adenine · ligand · chains A
  • NA · Sodium ion · metal · chains A

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
12360.500.7533ADE

Compared structures

  • 5ZMI · Crystal structure of APRT from Y. pseudotuberculosis in complex with adenine. · the same entry in another collection · chain A against A, TM-score 1.00
  • Q66DQ2 · AlphaFold monomer V2.0 prediction for adenine phosphoribosyltransferase (Q66DQ2) · a predicted model of the same protein · chain A against A, TM-score 0.99

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