BioLiP

Receptor Information

>1bxh Chain D (length=237) Species: 3823 (Canavalia ensiformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVDKRLSAVVSYPNADSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKSNSTHETNALHFMFNQFSKDQKDLILQGDATTGT
DGNLELTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIK
SPDSHPADGIAFFISNIDSSIPSGSTGRLLGLFPDAN

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

1bxh Chain F Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	1bxh Man alpha1-2 Man alpha-OMe-concanavalin A complex reveals a balance of forces involved in carbohydrate recognition.
Resolution	2.75 Å
Binding residue (original residue number in PDB)	Y12 N14 G98 L99 Y100 A207 D208 R228
Binding residue (residue number reindexed from 1)	Y12 N14 G98 L99 Y100 A207 D208 R228
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0030246	carbohydrate binding

PDB	RCSB:1bxh, PDBe:1bxh, PDBj:1bxh
PDBsum	1bxh
PubMed	10336986
UniProt	P02866\|CONA_CANEN Concanavalin-A

[Back to BioLiP]

Structure of PDB 1bxh Chain D Binding Site BS01