Structure of PDB 8ovs Chain AAA Binding Site BS01

Receptor Information
>8ovs Chain AAA (length=276) Species: 630 (Yersinia enterocolitica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSMQYFAQIVNREENKWPSEPINKYIHMIWIGPKNISDKNIRLSLQTAQK
NPDYSTTIIYDSGISGYEAARNFMSEKFKASKITLVDIRNKGYFHQLQQE
PSFTYYEEVIRNKKFAQASDILRLLVLKYEGGIYKDIDDIQIKGFGSLAF
PKGIGVMREYVPEAGKSAAFPNSPIAATKNNPVVNKTLELAVENYRHGEK
NVLKLAGPDVFTKALYQEIPGMCSQVLGTQLEQFELAKRQALKDEQLTLQ
EKAKISRPYKAIRGLSEYVCNGADHS
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 chain8ovs Chain AAA Residue 401 [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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PDB8ovs Tyrosine-modifying glycosylation by Yersinia effectors.
Resolution1.123 Å
Binding residue
(original residue number in PDB)		I43 W44 I45 F129 A130 S133 D150 I151 D152
Binding residue
(residue number reindexed from 1)		I29 W30 I31 F115 A116 S119 D136 I137 D138
Annotation score4
External links