Structure of PDB 8t24 Chain A Binding Site BS01

Receptor Information
>8t24 Chain A (length=494) Species: 837 (Porphyromonas gingivalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QEVTMWGDSHGVAPNQVRRTLVKVALSESLPPGAKQIRIGFSLPKETEEK
VTALYLLVSDSLAVRDLPDYKGRVSYDSFPISKEDRTTALSADSVAGRRF
FYLAADIGPVASFSRSDTLTARVEEVAVDGRPLPLKELSPASRRLYRGYE
ALFVPGDGGSRNYRIPAILKTANGTLIAMADRRKYNQTDLPEDIDIVMRR
STDGGKSWSDPRIIVQGEGRNHGFGDVALVQTQAGKLLMIFVGGVGLWQS
TPDRPQRTYISESRDEGLTWSPPRDITHFIFGKDCADPGRSRWLASFCAS
GQGLVLPSGRITFVAAIRESGQEYVLNNYVLYSDDEGDTWQLSDCAYRRG
DEAKLSLMPDGRVLMSIRNQGRQESRQRFFALSSDDGLTWERAKQFEGIH
DPGCNGAMLQVKRNGRDQVLHSLPLGPDGRRDGAVYLFDHVSGRWSAPVV
VNSGSSAYSDMTLLADGTIGYFVEEGDEISLVFIRFVLDDLFDV
Ligand information
Ligand IDFUD
InChIInChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1
InChIKeyBJHIKXHVCXFQLS-UYFOZJQFSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO
ACDLabs 10.04O=C(C(O)C(O)C(O)CO)CO
OpenEye OEToolkits 1.5.0C(C(C(C(C(=O)CO)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)C(=O)CO
FormulaC6 H12 O6
NameD-fructose
ChEMBLCHEMBL1232863
DrugBank
ZINCZINC000001532049
PDB chain8t24 Chain A Residue 607 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8t24 Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		H40 V94 R461 G484 S485 G506 D507
Binding residue
(residue number reindexed from 1)		H10 V64 R431 G454 S455 G476 D477
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
View graph for
Cellular Component
External links
PDB RCSB:8t24, PDBe:8t24, PDBj:8t24
PDBsum8t24
PubMed37747935
UniProtQ7MX62

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