Structure of PDB 1dqn Chain B Binding Site BS01

Receptor Information
>1dqn Chain B (length=230) Species: 5741 (Giardia intestinalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MICSVTGKPVKDVLSTFFKDRNDVLESEVKKFHLLATFEECKALAADTAR
RMNEYYKDVAEPVTLVALLTGAYLYASLLTVHLTFPYTLHFVKVSSYKGT
RQESVVFDEEDLKQLKEKREVVLIDEYVDSGHTIFSIQEQIKHAKICSCF
VKDVDAIKKHSALADTKMFYGYTPMPKGSWLIGFGLDDNGLRRGWAHLFD
INLSESEVTEFRRRLTEHIKGLNINGVNRY
Ligand information
Ligand IDIMU
InChIInChI=1S/C11H16N5O7P/c12-11-15-5-3(1-13-7(5)10(19)16-11)6-9(18)8(17)4(14-6)2-23-24(20,21)22/h1,4,6,8-9,13-14,17-18H,2H2,(H2,20,21,22)(H3,12,15,16,19)/t4-,6+,8-,9+/m1/s1
InChIKeyIQLBECLICFDTTF-PVEDRDFWSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2c([nH]cc2[C@@H]3N[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)C(=O)N1
ACDLabs 10.04O=P(OCC3NC(c2c1N=C(N)NC(=O)c1nc2)C(O)C3O)(O)O
CACTVS 3.341NC1=Nc2c([nH]cc2[CH]3N[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)C(=O)N1
OpenEye OEToolkits 1.5.0c1c(c2c([nH]1)C(=O)NC(=N2)N)C3C(C(C(N3)COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O
FormulaC11 H16 N5 O7 P
NamePHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER;
MODIFIED QUANOSINE-5-PHOSPHATE
ChEMBLCHEMBL1233603
DrugBank
ZINCZINC000015298459
PDB chain1dqn Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1dqn Crystal structures of Giardia lamblia guanine phosphoribosyltransferase at 1.75 A(,).
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D125 E126 Y127 D129 S130 G131 T133 W180 L181
Binding residue
(residue number reindexed from 1)		D125 E126 Y127 D129 S130 G131 T133 W180 L181
Annotation score1
Binding affinityMOAD: Ki=10nM
Enzymatic activity
Enzyme Commision number 2.4.2.8: hypoxanthine phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0000287 magnesium ion binding
GO:0004422 hypoxanthine phosphoribosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006178 guanine salvage
GO:0032263 GMP salvage
GO:0032264 IMP salvage
GO:0046100 hypoxanthine metabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1dqn, PDBe:1dqn, PDBj:1dqn
PDBsum1dqn
PubMed10841757
UniProtQ24973

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