Structure of PDB 2gud Chain A Binding Site BS03

Receptor Information
>2gud 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 IDMAN
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-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain2gud Chain A Residue 124 [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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PDB2gud Domain-swapped structure of the potent antiviral protein griffithsin and its mode of carbohydrate binding.
Resolution0.94 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:2gud, PDBe:2gud, PDBj:2gud
PDBsum2gud
PubMed16843894
UniProtP84801|GRFIN_GRISQ Griffithsin

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