Structure of PDB 1l1r Chain A Binding Site BS01

Receptor Information
>1l1r Chain A (length=179) Species: 5741 (Giardia intestinalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TMSVADAHALIKTIPDFPTKGIAFKDLSDILSTPAALDAVRKEVTAHYKD
VPITKVVGIESRGFILGGIVANSLGVGFVALRKAGKLPGDVCKCTFDMEY
QKGVTIEVQKRQLGPHDVVLLHDDVLATGGTLLAAIELCETAGVKPENIY
INVLYEIEALKGREKVGQKCTRLFSVIRE
Ligand information
Ligand ID9DA
InChIInChI=1S/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H,(H2,7,9,10)
InChIKeyYRVFQPBPZCRUDX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c[nH]c2c1ncnc2N
CACTVS 3.341Nc1ncnc2cc[nH]c12
ACDLabs 10.04n1c(c2c(nc1)ccn2)N
FormulaC6 H6 N4
Name9-DEAZAADENINE
ChEMBL
DrugBankDB03506
ZINCZINC000001575342
PDB chain1l1r Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1l1r Closed Site Complexes of Adenine Phosphoribosyltransferase from Giardia lamblia Reveal a Mechanism of Ribosyl Migration.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		F25 K26 R63 E100 Y101
Binding residue
(residue number reindexed from 1)		F24 K25 R62 E99 Y100
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:1l1r, PDBe:1l1r, PDBj:1l1r
PDBsum1l1r
PubMed12171925
UniProtQ967M2

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