BioLiP

Receptor Information

>5a6x Chain D (length=114) Species: 208963 (Pseudomonas aeruginosa UCBPP-PA14) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ATQGVFTLPANTQFGVTAFANSAGTQTVNVQVNNETVATFTGQSTNNAII
GSKVLNSGGGGKVQILVSVNGRSSDLVSAQVILANELNFALVGSEDSTDN
DYNDAVVVINWPLG

Ligand ID

MFU

InChI

InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1

InChIKey

OHWCAVRRXKJCRB-CXNFULCWSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1C(C(C(C(O1)OC)O)O)O
OpenEye OEToolkits 1.5.0	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O
ACDLabs 10.04	OC1C(O)C(O)C(OC1OC)C
CACTVS 3.341	CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1O
CACTVS 3.341	CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O

Formula

C7 H14 O5

Name

methyl alpha-L-fucopyranoside;
ALPHA-L-METHYL-FUCOSE;
methyl 6-deoxy-alpha-L-galactopyranoside;
methyl alpha-L-fucoside;
methyl L-fucoside;
methyl fucoside

PDB chain

5a6x Chain D Residue 201 [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	5a6x The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery.
Resolution	1.55 Å
Binding residue (original residue number in PDB)	S22 A23 D96 D99 D101 D104
Binding residue (residue number reindexed from 1)	S22 A23 D96 D99 D101 D104
Annotation score	1

Enzyme Commision number

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

PDB	RCSB:5a6x, PDBe:5a6x, PDBj:5a6x
PDBsum	5a6x
PubMed	30155149
UniProt	A0A0H2ZE85

[Back to BioLiP]

Structure of PDB 5a6x Chain D Binding Site BS03