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MolNFT v1 · #109484 · protein

Crystal structure of mutant R89Q of human adenine phosphoribosyltransferase

4X44: “Crystal structure of mutant R89Q of human adenine phosphoribosyltransferase”. X-ray diffraction, 2 ligands (AMP, SO4), 1 pocket (best druggability 0.57). MolNFT v1 #109484 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
4X44
Type
protein
Length
177 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Adenine phosphoribosyltransferase
EC
2.4.2.7
UniProt
P07741
Ligands
AMP, SO4
Pockets
1 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAdenine phosphoribosyltransferase (EC 2.4.2.7)protein17734% helix, 33% strandP07741

Ligands and binding sites

  • AMP · Adenosine monophosphate · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A
  • GOL · Glycerol · additive · 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
13200.570.7632AMP, SO4, GOL

Compared structures

  • 4X44 · Crystal Structure of Mutant R89Q of human Adenine phosphoribosyltransferase · the same entry in another collection · chain A against A, TM-score 1.00
  • P07741 · AlphaFold monomer V2.0 prediction for adenine phosphoribosyltransferase (P07741) · a predicted model of the same protein · chain A against A, TM-score 0.98

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