Structure of PDB 7qy8 Chain B Binding Site BS01

Receptor Information
>7qy8 Chain B (length=519) Species: 28112 (Tannerella forsythia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSVYVQNPQIPILVDRTDNVLFRIRIPDATKGDVLNRLTIRFGNEDKLSE
VKAVRLFYAGTEAATKGRSRFAPVTYVSSHNIRNTRSANPSYSIRQDEVT
TVANTLTLKTRQPMVKGINYFWVSVEMDRNTSLLSKLTSTVTEVVINDKP
AVIAGEQAAVRRMGIGVRHAGDDGSASFRIPGLVTTNKGTLLGVYDVRYN
NSVALQEHIDVGLSRSTDKGQTWEPMRIAMSFGETDGLPSGQNGVGDPSI
LVDERTNTVWVVAAWTHGMGNARAWTNSMPGMTPDETAQLMMVKSTDDGR
TWSESTNITSQVKDPSWCFLLQGPGRGITMRDGTLVFPIQFIDSLRVPHA
GIMYSKDRGETWHIHQPARTNTTEAQVAEVEPGVLMLNMRDNRGGSRAVS
ITRDLGKSWTEHSSNRSALPESICMASLISVKAKDNIIGKDLLLFSNPNT
TEGRHHITIKASLDGGVTWLPAHQVLLDEEDGWGYSCLSMIDRETVGIFY
ESSVAHMTFQAVKIKDLIR
Ligand information
Ligand IDI2K
InChIInChI=1S/C23H39NO19/c1-7(29)24-13-8(30)2-23(22(38)39,42-19(13)15(35)10(32)4-26)43-20-16(36)12(6-28)40-21(17(20)37)41-18(11(33)5-27)14(34)9(31)3-25/h3,8-21,26-28,30-37H,2,4-6H2,1H3,(H,24,29)(H,38,39)/t8-,9-,10+,11+,12+,13-,14+,15+,16-,17+,18+,19-,20-,21-,23-/m0/s1
InChIKeyOIZGSVFYNBZVIK-KYPQSLRHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)N[C@H]1[C@H](C[C@@](O[C@@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O
CACTVS 3.385CC(=O)N[C@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]2O)(O[C@@H]1[C@H](O)[C@H](O)CO)C(O)=O
OpenEye OEToolkits 2.0.7CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2O)OC(C(CO)O)C(C(C=O)O)O)CO)O)O
CACTVS 3.385CC(=O)N[CH]1[CH](O)C[C](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]([CH](O)CO)[CH](O)[CH](O)C=O)[CH]2O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
FormulaC23 H39 N O19
Name3-sialyllactose
ChEMBL
DrugBank
ZINC
PDB chain7qy8 Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB7qy8 Structural and functional characterisation of a stable, broad-specificity multimeric sialidase from the oral pathogen Tannerella forsythia.
Resolution2.06 Å
Binding residue
(original residue number in PDB)		R212 D280 R306 W308 E407 R423 R487 Y518
Binding residue
(residue number reindexed from 1)		R179 D247 R273 W275 E374 R390 R454 Y485
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004308 exo-alpha-sialidase activity
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7qy8, PDBe:7qy8, PDBj:7qy8
PDBsum7qy8
PubMed35916484
UniProtG8UIQ1

[Back to BioLiP]