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Structure of PDB 1kiu Chain L Binding Site BS01

Receptor Information >1kiu Chain L (length=279) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] FACKTANGTAIPIGGGSANVYVNLAPVVNVGQNLVVDLSTQIFCHNDYPE TITDYVTLQRGSAYGGVLSNFSGTVKYSGSSYPFPTTSETPRVVYNSRTD KPWPVALYLTPVSSAGGVAIKAGSLIAVLILRNTNNYNSDDFQFVWNIYA NNDVVVPTGGCDVSARDVTVTLPDYPGSVPIPLTVYCAKSQNLGYYLSGT TADAGNSIFTNTASFSPAQGVGVQLTRNGTIIPANNTVSLGAVGTSAVSL GLTANYARTGGQVTAGNVQSIIGVTFVYQ

Ligand information 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 ChEMBL CHEMBL195368 DrugBank DB01979 ZINC ZINC000004261920 PDB chain 1kiu Chain L Residue 504 [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] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 1kiu Structural basis of tropism of Escherichia coli to the bladder during urinary tract infection. Resolution 3.0 Å Binding residue (original residue number in PDB) F1 I13 N46 D47 Y48 D54 N135 D140 Binding residue (residue number reindexed from 1) F1 I13 N46 D47 Y48 D54 N135 D140 Annotation score 4

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0005515 protein binding GO:0005537 D-mannose binding

	Biological Process
GO:0007155	cell adhesion
GO:0007638	mechanosensory behavior
GO:0031589	cell-substrate adhesion
GO:0043709	cell adhesion involved in single-species biofilm formation

	Cellular Component
GO:0009289	pilus
GO:0009419	pilus tip
GO:0033644	host cell membrane

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