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MolNFT v1 · #13119 · protein

Crystal structure of aprtase from giardia lamblia complexed with 9- deazaadenine, MG2+ and prpp

1L1R · Adenine phosphoribosyltransferase: “Crystal structure of aprtase from giardia lamblia complexed with 9- deazaadenine, MG2+ and prpp”. X-ray diffraction, 3 ligands (9DA, PRP, MG), 1 pocket (best druggability 0.68). MolNFT v1 #13119…

PDB
1L1R
Type
protein
Length
179 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Adenine phosphoribosyltransferase
EC
2.4.2.7
UniProt
Q967M2
Ligands
9DA, PRP, MG
Pockets
1 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAdenine phosphoribosyltransferase (EC 2.4.2.7)protein17936% helix, 32% strandQ967M2

Ligands and binding sites

  • 9DA · 9-deazaadenine · ligand · chains A
  • PRP · 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose · ligand · chains A
  • MG · Magnesium 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
11950.680.8628MG, 9DA, PRP

Compared structures

  • 1L1R · Crystal Structure of APRTase from Giardia lamblia Complexed with 9-deazaadenine, Mg2+ and… · the same entry in another collection · chain A against A, TM-score 1.00

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