Structure of PDB 8t1z Chain A Binding Site BS01

Receptor Information
>8t1z Chain A (length=502) Species: 837 (Porphyromonas gingivalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHHHHGSMQEVTMWGDSHGVAPNQVRRTLVKVALSESLPPGAKQIRIGF
SLPKETEEKVTALYLLVSDSLAVRDLPDYKGRVSYDSFPISKEDRTTALS
ADSVAGRRFFYLAADIGPVASFSRSDTLTARVEEVAVDGRPLPLKELSPA
SRRLYRGYEALFVPGDGGSRNYRIPAILKTANGTLIAMADRRKYNQTDLP
EDIDIVMRRSTDGGKSWSDPRIIVQGEGRNHGFGDVALVQTQAGKLLMIF
VGGVGLWQSTPDRPQRTYISESRDEGLTWSPPRDITHFIFGKDCADPGRS
RWLASFCASGQGLVLPSGRITFVAAIRESGQEYVLNNYVLYSDDEGDTWQ
LSDCAYRRGDEAKLSLMPDGRVLMSIRNQGRQESRQRFFALSSDDGLTWE
RAKQFEGIHDPGCNGAMLQVKRNGRDQVLHSLPLGPDGRRDGAVYLFDHV
SGRWSAPVVVNSGSSAYSDMTLLADGTIGYFVEEGDEISLVFIRFVLDDL
FD
Ligand information
Ligand IDSIA
InChIInChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1
InChIKeySQVRNKJHWKZAKO-YRMXFSIDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O
ACDLabs 10.04O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
CACTVS 3.341CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
FormulaC11 H19 N O9
NameN-acetyl-alpha-neuraminic acid;
N-acetylneuraminic acid;
sialic acid;
alpha-sialic acid;
O-SIALIC ACID
ChEMBLCHEMBL1234621
DrugBankDB03721
ZINCZINC000004081651
PDB chain8t1z Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8t1z Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		R194 D219 D256 F327 D381 E382 R398 R460 Y488
Binding residue
(residue number reindexed from 1)		R173 D198 D235 F306 D360 E361 R377 R439 Y467
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.18: exo-alpha-sialidase.
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8t1z, PDBe:8t1z, PDBj:8t1z
PDBsum8t1z
PubMed37747935
UniProtQ7MX62

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