Structure of PDB 2vl8 Chain B Binding Site BS01

Receptor Information
>2vl8 Chain B (length=533) Species: 1505 (Paraclostridium sordellii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVNKAQLQKMAYVKFRIQEDEYVAILNALEEYHNMSESSVVEKYLKLKDI
NNLTDNYLNTYKKSGRNKALKKFKEYLTMEVLELKNNSLTPVEKNLHFIW
IGGQINDTAINYINQWKDVNSDYTVKVFYDSNAFLINTLKKTIVESATNN
TLESFRENLNDPEFDYNKFYRKRMEIIYDKQKHFIDYYKSQIEENPEFII
DNIIKTYLSNEYSKDLEALNKYIEESLNKITANNGNDIRNLEKFADEDLV
RLYNQELVERWNLAAASDILRISMLKEDGGVYLDVDMLPGIQPDLFKSIN
KPDSITNTSWEMIKLEAIMKYKEYIPGYTSKNFDMLDEEVQRSFESALSS
KSDKSEIFLPLDDIKVSPLEVKIAFANNSVINQALISLKDSYCSDLVINQ
IKNRYKILNDNLNPSINEGTDFNTTMKIFSDKLASISNEDNMMFMIKITN
YLKVGFAPDVRSTINLSGPGVYTGAYQDLLMFKDNSTNIHLLEPELRNFE
FPKTKISQLTEQEITSLARAKSQFEEYKKGYFE
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain2vl8 Chain B 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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PDB2vl8 Inhibition of the Glucosyltransferase Activity of Clostridial Rho/Ras-Glucosylating Toxins by Castanospermine.
Resolution2.31 Å
Binding residue
(original residue number in PDB)		I101 W102 I103 L265 S269 D286
Binding residue
(residue number reindexed from 1)		I99 W100 I101 L263 S267 D284
Annotation score3
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)

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