Structure of PDB 1l1r Chain A Binding Site BS02

Receptor Information

>1l1r Chain A (length=179) Species: 5741 (Giardia intestinalis)

TMSVADAHALIKTIPDFPTKGIAFKDLSDILSTPAALDAVRKEVTAHYKD
VPITKVVGIESRGFILGGIVANSLGVGFVALRKAGKLPGDVCKCTFDMEY
QKGVTIEVQKRQLGPHDVVLLHDDVLATGGTLLAAIELCETAGVKPENIY
INVLYEIEALKGREKVGQKCTRLFSVIRE

Ligand information

• Ligand ID: PRP
• InChI: InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
• InChIKey: PQGCEDQWHSBAJP-TXICZTDVSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(O1)OP(=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O
  CACTVS 3.341: O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(=O)O[P](O)(O)=O
  ACDLabs 10.04: O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)OP(=O)(O)O
  CACTVS 3.341: O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)O[P@](O)(=O)O[P](O)(O)=O
• Formula: C5 H13 O14 P3
• Name: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose;
  ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID;
  1-O-pyrophosphono-5-O-phosphono-alpha-D-ribose;
  1-O-pyrophosphono-5-O-phosphono-D-ribose;
  1-O-pyrophosphono-5-O-phosphono-ribose
• DrugBank: DB01632
• ZINC: ZINC000008215630
• PDB chain: 1l1r Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1l1r Closed Site Complexes of Adenine Phosphoribosyltransferase from Giardia lamblia Reveal a Mechanism of Ribosyl Migration.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): S62 R63 M99 Y101 D124 D125 V126 A128 T129 G130 T132
• Binding residue (residue number reindexed from 1): S61 R62 M98 Y100 D123 D124 V125 A127 T128 G129 T131
• Annotation score: 5

Enzymatic activity

• Catalytic site (original residue number in PDB): R63 E100
• Catalytic site (residue number reindexed from 1): R62 E99
• Enzyme Commision number: 2.4.2.7: adenine phosphoribosyltransferase.

Gene Ontology

Molecular Function

• GO:0003999 adenine phosphoribosyltransferase activity
• GO:0016757 glycosyltransferase activity

External links

• PDB: RCSB:1l1r, PDBe:1l1r, PDBj:1l1r
• PDBsum: 1l1r
• PubMed: 12171925
• UniProt: Q967M2