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Receptor Information

>5f8w Chain B (length=149) Species: 151218 (Crenomytilus grayanus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TTFLIKHKASGKFLHPYGGSSNPANNTKLVLHSDIHERMYFQFDVVDERW
GYIKHVASGKIVHPYGGQANPPNETNMVLHQDRHDRALFAMDFFNDNIMH
KGGKYIHPKGGSPNPPNNTETVIHGDKHAAMEFIFVSPKNKDKRVLVYA

Ligand ID

GLA

InChI

InChI=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

InChIKey

WQZGKKKJIJFFOK-PHYPRBDBSA-N

SMILES

Software	SMILES
CACTVS 3.341	OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0	C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04	OC1C(O)C(OC(O)C1O)CO

Formula

C6 H12 O6

Name

alpha-D-galactopyranose;
alpha-D-galactose;
D-galactose;
galactose;
ALPHA D-GALACTOSE

PDB chain

5f8w Chain B Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5f8w A Multivalent Marine Lectin from Crenomytilus grayanus Possesses Anti-cancer Activity through Recognizing Globotriose Gb3
Resolution	1.56 Å
Binding residue (original residue number in PDB)	H16 Y18 G19 G20 H33 D35 H37 N119
Binding residue (residue number reindexed from 1)	H15 Y17 G18 G19 H32 D34 H36 N118
Annotation score	4
Binding affinity	MOAD: Kd=51uM

Enzyme Commision number

	Molecular Function
GO:0030246	carbohydrate binding

PDB	RCSB:5f8w, PDBe:5f8w, PDBj:5f8w
PDBsum	5f8w
PubMed	27010847
UniProt	H2FH31\|LEC_CREGR Galactose-binding lectin

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Structure of PDB 5f8w Chain B Binding Site BS03