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Receptor Information

>2boi Chain A (length=113) Species: 536 (Chromobacterium violaceum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AQQGVFTLPARINFGVTVLVNSAATQHVEIFVDNEPRAAFSGVGTGDNNL
GTKVINSGSGNVRVQITANGRQSDLVSSQLVLANKLNLAVVGSEDGTDMD
YNDSIVILNWPLG

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

2boi Chain A Residue 400 [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	2boi Unusual Entropy Driven Affinity of Chromobacter Violaceum Lectin Cv-Iil Towards Fucose and Mannose
Resolution	1.1 Å
Binding residue (original residue number in PDB)	S22 A23 D95 D98 D100 D103
Binding residue (residue number reindexed from 1)	S22 A23 D95 D98 D100 D103
Annotation score	1
Binding affinity	MOAD: ic50=48uM PDBbind-CN: -logKd/Ki=4.32,IC50=48uM

Enzyme Commision number

	Molecular Function
GO:0046872	metal ion binding

PDB	RCSB:2boi, PDBe:2boi, PDBj:2boi
PDBsum	2boi
PubMed	16768446
UniProt	Q7NX84

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Structure of PDB 2boi Chain A Binding Site BS03