Structure of PDB 2vl8 Chain A Binding Site BS03

Receptor Information
>2vl8 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 chain2vl8 Chain A Residue 1545 [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]
PDB2vl8 Inhibition of the Glucosyltransferase Activity of Clostridial Rho/Ras-Glucosylating Toxins by Castanospermine.
Resolution2.31 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:2vl8, PDBe:2vl8, PDBj:2vl8
PDBsum2vl8
PubMed18505687
UniProtQ46342|TCSL1_PARSO Cytotoxin-L (Gene Name=tcsL)

[Back to BioLiP]