Structure of PDB 8a49 Chain C Binding Site BS01

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 IDBMA
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-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
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
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
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain8a49 Chain E Residue 3 [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 F150 D152 W153 E349 Y402
Binding residue
(residue number reindexed from 1)		W20 F49 D51 W52 E248 Y301
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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