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Receptor Information

>5l4w Chain B (length=158) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

FACKTANGTAIPIGGGSANVYVNLAPVVNVGQNLVVDLSTQIFCHNDYPE
TITDYVTLQRGSAYGGVLSNFSGTVKYSGSSYPFPTTSETPRVVYNSRTD
KPWPVALYLTPVSSAGGVAIKAGSLIAVLILRQTNNYNSDDFQFVWNIYA
NNDVVVPT

Ligand ID

6KH

InChI

InChI=1S/C13H25FO5/c1-2-3-4-5-6-7-18-13-12(17)10(14)11(16)9(8-15)19-13/h9-13,15-17H,2-8H2,1H3/t9-,10+,11-,12+,13+/m1/s1

InChIKey

ZEXHYSKAVKHNNT-FHUSYTEZSA-N

SMILES

Software	SMILES
CACTVS 3.385	CCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](F)[CH]1O
OpenEye OEToolkits 2.0.5	CCCCCCCOC1C(C(C(C(O1)CO)O)F)O
CACTVS 3.385	CCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](F)[C@@H]1O
OpenEye OEToolkits 2.0.5	CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)F)O

Formula

C13 H25 F O5

Name

heptyl 3-fluoro-alpha-D-mannopyranoside;
3-Fluoro-Heptylmannoside;
heptyl 3-fluoro-alpha-D-mannoside;
heptyl 3-fluoro-D-mannoside;
heptyl 3-fluoro-mannoside

ChEMBL

DrugBank

ZINC

PDB chain

5l4w Chain B Residue 301 [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	5l4w High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
Resolution	1.9 Å
Binding residue (original residue number in PDB)	F1 I13 N46 Y48 D54 Q133 N135 Y137 D140
Binding residue (residue number reindexed from 1)	F1 I13 N46 Y48 D54 Q133 N135 Y137 D140
Annotation score	1

Enzyme Commision number

	Biological Process
GO:0007155	cell adhesion

	Cellular Component
GO:0009289	pilus

PDB	RCSB:5l4w, PDBe:5l4w, PDBj:5l4w
PDBsum	5l4w
PubMed
UniProt	P08191\|FIMH_ECOLI Type 1 fimbrin D-mannose specific adhesin (Gene Name=fimH)

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Structure of PDB 5l4w Chain B Binding Site BS01