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Receptor Information

>5jcr Chain A (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

MMA

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-VEIUFWFVSA-N

SMILES

Software	SMILES
CACTVS 3.341	CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
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

Formula

C7 H14 O6

Name

methyl alpha-D-mannopyranoside;
O1-METHYL-MANNOSE;
methyl alpha-D-mannoside;
methyl D-mannoside;
methyl mannoside

PDB chain

5jcr Chain A 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	5jcr Crystal structure of the FimH lectin domain from E.coli K12 in complex with methyl alpha-D-mannopyrannoside in spacegroup P212121
Resolution	1.701 Å
Binding residue (original residue number in PDB)	F1 I13 N46 D47 D54 Q133 N135 D140
Binding residue (residue number reindexed from 1)	F1 I13 N46 D47 D54 Q133 N135 D140
Annotation score	4

Enzyme Commision number

	Biological Process
GO:0007155	cell adhesion

	Cellular Component
GO:0009289	pilus

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

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Structure of PDB 5jcr Chain A Binding Site BS01