Structure of PDB 2vkh Chain A Binding Site BS01

Receptor Information
>2vkh Chain A (length=539) Species: 1505 (Paraclostridium sordellii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNLVNKAQLQKMAYVKFRIQEDEYVAILNALEEYHNMSESSVVEKYLKLK
DINNLTDNYLNTYKKSGRNKALKKFKEYLTMEVLELKNNSLTPVEKNLHF
IWIGGQINDTAINYINQWKDVNSDYTVKVFYDSNAFLINTLKKTIVESAT
NNTLESFRENLNDPEFDYNKFYRKRMEIIYDKQKHFIDYYKSQIEENPEF
IIDNIIKTYLSNEYSKDLEALNKYIEESLNKITANNGNDIRNLEKFADED
LVRLYNQELVERWNLAAASDILRISMLKEDGGVYLDVDMLPGIQPDLFKS
INKPDSITNTSWEMIKLEAIMKYKEYIPGYTSKNFDMLDEEVQRSFESAL
SSKSDKSEIFLPLDDIKVSPLEVKIAFANNSVINQALISLKDSYCSDLVI
NQIKNRYKILNDNLNPSINEGTDFNTTMKIFSDKLASISNEDNMMFMIKI
TNYLKVGFAPDVRSTINLSGPGVYTGAYQDLLMFKDNSTNIHLLEPELRN
FEFPKTKISQLTEQEITSLWSARAKSQFEEYKKGYFEGA
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 chain2vkh Chain A Residue 1543 [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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PDB2vkh Conformational Changes and Reaction of Clostridial Glycosylating Toxins.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D288 E515 S518
Binding residue
(residue number reindexed from 1)		D288 E515 S518
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.-
3.4.22.-
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:2vkh, PDBe:2vkh, PDBj:2vkh
PDBsum2vkh
PubMed18325534
UniProtQ46342|TCSL1_PARSO Cytotoxin-L (Gene Name=tcsL)

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