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BioLiP

Structure of PDB 2nuo Chain A Binding Site BS02

Receptor Information
>2nuo Chain A (length=121) Species: 35158 (Griffithsia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLTHRKFGGSGGSPFSGLSSIAVRSGSYLDAIIIDGVHHGGSGGNLSPTF
TFGSGEYISNMTIRSGDYIDNISFETNMGRRFGPYGGSGGSANTLSNVKV
IQINGSAGDYLDSLDIYYEQY
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain2nuo Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2nuo Crystallographic studies of the complexes of antiviral protein griffithsin with glucose and N-acetylglucosamine.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		G26 S27 Y28 D30 G44
Binding residue
(residue number reindexed from 1)		G26 S27 Y28 D30 G44
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005536 D-glucose binding
GO:0005537 D-mannose binding
GO:0030246 carbohydrate binding
GO:0042802 identical protein binding
GO:0046871 N-acetylgalactosamine binding
Biological Process
GO:0008150 biological_process

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Molecular Function
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Biological Process
External links
PDB RCSB:2nuo, PDBe:2nuo, PDBj:2nuo
PDBsum2nuo
PubMed17567736
UniProtP84801|GRFIN_GRISQ Griffithsin

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