Structure of PDB 4nuy Chain A Binding Site BS01

Receptor Information
>4nuy Chain A (length=880) Species: 301447 (Streptococcus pyogenes serotype M1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEKIPMKPLHGPLYGGYFRTWHDKTSDPTEKDKVNSMGELPKEVDLAFIF
HDWTKDYSLFWKELATKHVPKLNKQGTRVIRTIPWRFLAGGDNSGIAEDT
SKYPNTPEGNKALAKAIVDEYVYKYNLDGLDVDVEHDSIPKVDKKEDTAG
VERSIQVFEEIGKLIGPKGVDKSRLFIMDSTYMADKNPLIERGAPYINLL
LVQVYGSQGEKGGWEPVSNRPEKTMEERWQGYSKYIRPEQYMIGFSFYEE
NAQEGNLWYDINSRKDEDKANGINTDITGTRAERYARWQPKTGGVKGGIF
SYAIDRDGVAHQPKKYAKDATDNIFHSDYSVSKALKTVMLKDKSYDLIDE
KDFPDKALREAVMAQVGTRKGDLERFNGTLRLDNPAIQSLEGLNKFKKLA
QLDLIGLSRITKLDRSVLPANMKPGKDTLETVLETYKEEPATIPPVSLKV
SGLTGLKELDLSGFDRETLAGLDAATLTSLEKVDISGNKLDLAPGTENRQ
IFDTMLSTISNHVGSNEQTVKFDKQKPTGHYPDTYGKTSLRLPVANEKVD
LQSQLLFGTVTNQGTLINSEADYKAYQNHKIAGRSFVDSNYHYNNFKVSY
ENYTVKVTDSTLGTTTDKTLATDKEETYKVDFFSPADKTKAVHTAKVIVG
DEKTMMVNLAEGATVIGGSADPVNARKVFDGQLGSETDNISLGWDSKQSI
IFKLKEDGLIKHWRFFNDSARNPETTNKPIQEASLQIFNIKDYNLDNLLE
NPNKFDDEKYWITVDTYSAQGERATAFSNTLNNITSKYWRVVFDTKGDRY
SSPVVPELQILGYPLPNADTIMKTVTTAKELSQQKDKFSQKMLDELKIKE
MALETSLNSKIFDVTAINANAGVLKDCIEK
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4nuy Chain A Residue 1001 [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]
PDB4nuy Crystal structure of Streptococcus pyogenes EndoS, an immunomodulatory endoglycosidase specific for human IgG antibodies.
Resolution2.609 Å
Binding residue
(original residue number in PDB)		K786 D789 Q791 P915 E916
Binding residue
(residue number reindexed from 1)		K677 D680 Q682 P806 E807
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:0005975 carbohydrate metabolic process
GO:0042783 evasion of host immune response
Cellular Component
GO:0005576 extracellular region
GO:0043655 host extracellular space

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4nuy, PDBe:4nuy, PDBj:4nuy
PDBsum4nuy
PubMed24753590
UniProtQ99Y92|ENDOS_STRP1 Endo-beta-N-acetylglucosaminidase EndoS (Gene Name=endoS)

[Back to BioLiP]