Structure of PDB 1l1q Chain A Binding Site BS03

Receptor Information
>1l1q Chain A (length=181) Species: 5741 (Giardia intestinalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TMSVADAHALIKTIPDFPTKGIAFKDLSDILSTPAALDAVRKEVTAHYKD
VPITKVVGIESRGFILGGIVANSLGVGFVALRKAGKLPGDVCKCTFDMEY
QKGVTIEVQKRQLGPHDVVLLHDDVLATGGTLLAAIELCETAGVKPENIY
INVLYEIEALKGREKVGQKCTRLFSVIREHH
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1l1q Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1l1q Closed Site Complexes of Adenine Phosphoribosyltransferase from Giardia lamblia Reveal a Mechanism of Ribosyl Migration.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		H9 Y156 E180 H181
Binding residue
(residue number reindexed from 1)		H8 Y155 E179 H180
Annotation score1
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

View graph for
Molecular Function
External links
PDB RCSB:1l1q, PDBe:1l1q, PDBj:1l1q
PDBsum1l1q
PubMed12171925
UniProtQ967M2

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