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Structure of PDB 7p1r Chain A Binding Site BS01

Receptor Information >7p1r Chain A (length=382) Species: 5551 (Trichophyton rubrum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] DPAGKAAQYHKEYALFRSANMPSPDKLATGVGFHSFRIPAVVRTNTGRIL AFAEGRRHNNRDYGDINLVYKRTKSPTNNGENPTDWESLREVVGTGPHTW GNPTPVVDGNTIYLFLSMNDGAYSQNGGNTLPDGTKTKKIDSTWVGRRHL YLTTSTDDGDTWTKPVDMTKTLTPDGQAWDAVGPGNGIKLSTGELVIPAQ GRNIIGRGPSGNRTWSMQILKGAGSEGTICQTPDGKLMRNDRPGPMGHRS VARGTLAGLGPFATDNGLPDPACQGSILSYNSDEPARTIFMNSASTDRRT AMRVRISYDKDAAKFNFGRELKDAPLGNVGNEGGYSSMTKTSDYKIGALV ESDWYEDKGGEKSHRCIIWRRFNLSWIINGPN

Ligand information Ligand ID FKD InChI InChI=1S/C9H15FO9/c10-7-5(15)4(14)6(3(13)2(12)1-11)19-9(7,18)8(16)17/h2-7,11-15,18H,1H2,(H,16,17)/t2-,3-,4-,5-,6+,7-,9+/m1/s1 InChIKey KOWJBKIDVGQXJZ-QMFVTVPYSA-N SMILES Software SMILES OpenEye OEToolkits 1.7.6 C(C(C(C1C(C(C(C(O1)(C(=O)O)O)F)O)O)O)O)O CACTVS 3.370 OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)([C@H](F)[C@H](O)[C@H]1O)C(O)=O ACDLabs 12.01 O=C(O)C1(O)OC(C(O)C(O)C1F)C(O)C(O)CO OpenEye OEToolkits 1.7.6 C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@](O1)(C(=O)O)O)F)O)O)O)O)O CACTVS 3.370 OC[CH](O)[CH](O)[CH]1O[C](O)([CH](F)[CH](O)[CH]1O)C(O)=O Formula C9 H15 F O9 Name 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid; 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulosonic acid; 3-deoxy-3-fluoro-D-erythro-L-manno-non-2-ulosonic acid; 3-deoxy-3-fluoro-D-erythro-manno-non-2-ulosonic acid ChEMBL DrugBank DB04694 ZINC ZINC000033836617 PDB chain 7p1r Chain A 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 7p1r Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens. Resolution 1.75 Å Binding residue (original residue number in PDB) R62 I63 D87 Q150 E251 R267 R324 Y360 Binding residue (residue number reindexed from 1) R37 I38 D62 Q125 E226 R242 R299 Y335 Annotation score 1

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0004308 exo-alpha-sialidase activity GO:0046872 metal ion binding

	Biological Process
GO:0006689	ganglioside catabolic process
GO:0009313	oligosaccharide catabolic process

	Cellular Component
GO:0005737	cytoplasm
GO:0016020	membrane
GO:0043231	intracellular membrane-bounded organelle

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