Structure of PDB 8a49 Chain C Binding Site BS02

Receptor Information
>8a49 Chain C (length=884) Species: 1314 (Streptococcus pyogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKIPMKPLHGPLYGGYFRTWHDKTSDPTEKDKVNSMGELPKEVDLAFIFH
DWTKDYSLFWKELATKHVPKLNKQGTRVIRTIPWRFLAGGDNSGIAEDTS
KYPNTPEGNKALAKAIVDEYVYKYNLDGLDVAVLHDSIPKVDKKEDTAGV
ERSIQVFEEIGKLIGPKGVDKSRLFIMDSTYMADKNPLIERGAPYINLLL
VQVYGSQGEKGGWEPVSNRPEKTMEERWQGYSKYIRPEQYMIGFSFYEEN
AQEGNLWYDINSRKDEDKANGINTDITGTRAERYARWQPKTGGVKGGIFS
YAIDRDGVAHQPKKYAKQKEFKDATDNIFHSDYSVSKALKTVMLKDKSYD
LIDEKDFPDKALREAVMAQVGTRKGDLERFNGTLRLDNPAIQSLEGLNKF
KKLAQLDLIGLSRITKLDRSVLPANMKPGKDTLETVLETYKEPATIPPVS
LKVSGLTGLKELDLSGFDRETLAGLDAATLTSLEKVDISGNKLDLAPGTE
NRQIFDTMLSTISNHVGSNEQTVKFDKQKPTGHYPDTYGKTSLRLPVANE
KVDLQSQLLFGTVTNQGTLINSEADYKAYQNHKIAGRSFVDSNYHYNNFK
VSYENYTVKVTDSTLGTTTDKTLATDKEETYKVDFFSPADKTKAVHTAKV
IVGDEKTMMVNLAEGATVIGGSADPVNARKVFDGQLGSETDNISLGWDSK
QSIIFKLKEDGLIKHWRFFNDSARNPETTNKPIQEASLQIFNIKDYNLDN
LLENPNKFDDEKYWITVDTYSAQGERATAFSNTLNNITSKYWRVVFDTKG
DRYSSPVVPELQILGYPLPNADTIMKTVTTAKELSQQKDKFSQKMLDELK
IKEMALETSLNSKIFDVTAINANAGVLKDCIEKR
Ligand information
Ligand IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain8a49 Chain E Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8a49 Extensive substrate recognition by the streptococcal antibody-degrading enzymes IdeS and EndoS.
Resolution3.45 Å
Binding residue
(original residue number in PDB)		W121 E349 E350
Binding residue
(residue number reindexed from 1)		W20 E248 E249
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.96: mannosyl-glycoprotein endo-beta-N-acetylglucosaminidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0005509 calcium ion binding
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033925 mannosyl-glycoprotein endo-beta-N-acetylglucosaminidase activity
GO:0046872 metal ion binding
GO:0090729 toxin activity
Biological Process
GO:0042783 evasion of host immune response
Cellular Component
GO:0005576 extracellular region
GO:0043655 host extracellular space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8a49, PDBe:8a49, PDBj:8a49
PDBsum8a49
PubMed36528711
UniProtQ99Y92|ENDOS_STRP1 Endo-beta-N-acetylglucosaminidase EndoS (Gene Name=endoS)

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