Structure of PDB 7c2x Chain A Binding Site BS01

Receptor Information
>7c2x Chain A (length=490) Species: 74613 (Glycyrrhiza uralensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVLKAVFLPFISKSHLIRVVDKARIFAMHGVDVTIITTPANAAAFQTSID
HDSSRSRSIKTHIVPFPQVPGLPQGFERLDADTPQHLLPKIYQGLSILQE
QFQQLFREMRPDFIVTDMYYPWSVDAAAELGIPRLVCNGGSYFAQSAVNS
IELFSPQAKVDSNTETFLLPGLPHEVEMTRLQLPDWLRGAPNEYTYLMKM
IKDSERKSYGSLFNSFYELEGTYEEHYKKAMGTKSWSVGPVSLWVNQDAS
DKACRGDVGVVLTWLDSKTEDSVLYVSFGSMNKFPKTQLVEIAHALEDSG
HDFIWVVGKIEEGEGGADFLREFEKKVKEKNRGYLIWGWAPQLLILEHPA
VGAVVTHCGWNTVMESVNASLPLATWPLFAEQFFNEKLVVDVVKIGVPVG
VKEWRNWNEFGDEVVKREDIGKAIAFLMGGGDESLEMRKRVKVLSGATKK
AIQVDGSSYTKLKELIEELKSIKLQKVNNKLMEAVALEHH
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 chain7c2x Chain A Residue 601 [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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PDB7c2x Crystal Structure of Glycyrrhiza uralensis UGT73P12 complexed with glycyrrhetinic acid 3-O-monoglucuronide
Resolution1.89 Å
Binding residue
(original residue number in PDB)		S28 S300 W359 A360 Q362 H377 G379 N381 T382 E385
Binding residue
(residue number reindexed from 1)		S14 S280 W339 A340 Q342 H357 G359 N361 T362 E365
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0035251 UDP-glucosyltransferase activity
GO:0046527 glucosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:7c2x, PDBe:7c2x, PDBj:7c2x
PDBsum7c2x
PubMed
UniProtA0A5A4WN00

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