Structure of PDB 3vkl Chain A Binding Site BS02

Receptor Information
>3vkl Chain A (length=289) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSLNNLQNIIYNPVIPFVGTIPDQLDPGTLIVIRGHVPSDADRFQVDLQN
GSSMKPRADVAFHFNPRFKRAGCIVCNTLINEKWGREEITYDTPFKREKS
FEIVIMVLKDKFQVAVNGKHTLLYGHRIGPEKIDTLGIYGKVNIHSIGFS
FSSHMRLPFAARLNTPMGPGRTVVVKGEVNANAKSFNVDLLAGKSKDIAL
HLNPRLNIKAFVRNSFLQESWGEEERNITSFPFSPGMYFEMIIYCDVREF
KVAVNGVHSLEYKHRFKELSSIDTLEINGDIHLLEVRSW
Ligand information
Ligand IDGAL
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-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain3vkl Chain C Residue 2 [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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PDB3vkl X-ray structure of a protease-resistant mutant form of human galectin-8 with two carbohydrate recognition domains
Resolution2.55 Å
Binding residue
(original residue number in PDB)		R45 H65 R69 N79 W86 E89
Binding residue
(residue number reindexed from 1)		R43 H63 R67 N77 W84 E87
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:3vkl, PDBe:3vkl, PDBj:3vkl
PDBsum3vkl
PubMed22913484
UniProtO00214|LEG8_HUMAN Galectin-8 (Gene Name=LGALS8)

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