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Receptor Information

>1fay Chain D (length=236) Species: 3891 (Psophocarpus tetragonolobus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ETQSFNFDHFEENSKELNLQRQASIKSNGVLELTKLTKNGVPVWKSTGRA
LYAEPIKIWDSTTGNVASFETRFSFNITQPYAYPEPADGLTFFMVPPNSP
QGEDGGNLGVFKPPEGDNAFAVEFDTFQNTWDPQVPHIGIDVNSIVSSKT
LHFQLENGGVANVVIKYDSPTKILNVVLAFHSVGTVYTLSNIVDLKQEFP
NSEWVNVGLSATTGYQKNAVETHEIISWSFTSSLQE

Ligand ID

AMG

InChI

InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1

InChIKey

HOVAGTYPODGVJG-PZRMXXKTSA-N

SMILES

Software	SMILES
ACDLabs 10.04	OC1C(O)C(O)C(OC1OC)CO
OpenEye OEToolkits 1.5.0	CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
CACTVS 3.341	CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0	COC1C(C(C(C(O1)CO)O)O)O
CACTVS 3.341	CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Formula

C7 H14 O6

Name

methyl alpha-D-galactopyranoside;
ALPHA-METHYL-D-GALACTOSIDE;
methyl alpha-D-galactoside;
methyl D-galactoside;
methyl galactoside

PDB chain

1fay Chain D Residue 403 [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	1fay Carbohydrate specificity and salt-bridge mediated conformational change in acidic winged bean agglutinin.
Resolution	3.3 Å
Binding residue (original residue number in PDB)	D88 G106 F127 N129 G214 Y215
Binding residue (residue number reindexed from 1)	D88 G106 F127 N129 G214 Y215
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0030246	carbohydrate binding
GO:0046872	metal ion binding

PDB	RCSB:1fay, PDBe:1fay, PDBj:1fay
PDBsum	1fay
PubMed	11183779
UniProt	Q9SM56

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Structure of PDB 1fay Chain D Binding Site BS01