Structure of PDB 7xx4 Chain B Binding Site BS01

Receptor Information
>7xx4 Chain B (length=393) Species: 1890 (Streptomyces antibioticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHIAMFSIAAHGHVNPSLEVIRELVARGHRVTYAIPPVFADKVAATGARP
VLYHSTLPKPSNPEESWPEDQESAMGLFLNDAIQALPQLADAYADDIPDL
VLHDITSYPARVLARRWGVPAVSLSPNLVAWKGYEEEVAEPMWREPRQTE
RGRAYYARFEAWLKENGITEHPDTFASHPPRSLVLIPKALQPHADRVDED
VYTFVGACQGDRAEEGGWQRPAGAEKVVLVSLGSAFTKQPAFYRECVRAF
GNLPGWHLVLQIGRKVTPAELGELPPNVEVHQWVPQLDILTKASAFITHA
GMGSTMEALSNAVPMIAVPQAVDQFGNADMLQGLGVARKLATEEATADLL
RETALALVDDPEVARRLRRIQAEMAQEGGTRRAADLIEAELPA
Ligand information
Ligand IDUPG
InChIInChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
InChIKeyHSCJRCZFDFQWRP-JZMIEXBBSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O
CACTVS 3.370OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
OpenEye OEToolkits 1.7.6C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O
FormulaC15 H24 N2 O17 P2
NameURIDINE-5'-DIPHOSPHATE-GLUCOSE;
URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER
ChEMBLCHEMBL375951
DrugBankDB01861
ZINCZINC000008215472
PDB chain7xx4 Chain B Residue 501 [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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PDB7xx4 Structure of artificial glycosyltransferase at 2.43 Angstroms resolution
Resolution2.43 Å
Binding residue
(original residue number in PDB)		H17 H19 N21 W73 S240 A241 Q267 W289 V290 Q292 H305 G309 S310 E313
Binding residue
(residue number reindexed from 1)		H11 H13 N15 W67 S234 A235 Q261 W283 V284 Q286 H299 G303 S304 E307
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016740 transferase activity
GO:0016758 hexosyltransferase activity
Biological Process
GO:0017000 antibiotic biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7xx4, PDBe:7xx4, PDBj:7xx4
PDBsum7xx4
PubMed37606280
UniProtQ3HTL6

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