Structure of PDB 2iv3 Chain B Binding Site BS01

Receptor Information
>2iv3 Chain B (length=334) Species: 1938 (Streptomyces viridochromogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLKVALVNIPLRVPGSDAWISVPPQGYGGIQWVVANLMDGLLELGHEVFL
LGAPSPGRPGLTVVPAGEPEEIERWLRTADVDVVHDHSGGVIGPAGLPPG
TAFISSHHFTTRPVNPVGCTYSSRAQRAHCGGGDDAPVIPIPVDPARYRS
AADQVAKEDFLLFMGRVSPHKGALEAAAFAHACGRRLVLAGPAWEPEYFD
EITRRYGSTVEPIGEVGGERRLDLLASAHAVLAMSQAVTGIWCEPGATVV
SEAAVSGTPVVGTGNGCLAEIVPSVGEVVGYGTDFAPDEARRTLAGLPAS
DEVRRAAVRLWGHVTIAERYVEQYRRLLAGATWK
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 chain2iv3 Chain B Residue 1353 [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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PDB2iv3 Insights Into the Synthesis of Lipopolysaccharide and Antibiotics Through the Structures of Two Retaining Glycosyltransferases from Family Gt4
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G38 Y39 G41 M178 G179 K185 G205 E229 V230 R235 T266 E270
Binding residue
(residue number reindexed from 1)		G26 Y27 G29 M164 G165 K171 G191 E215 V216 R221 T248 E252
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016740 transferase activity
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:2iv3, PDBe:2iv3, PDBj:2iv3
PDBsum2iv3
PubMed17113996
UniProtQ93KV2

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