Structure of PDB 8cgq Chain A Binding Site BS01

Receptor Information
>8cgq Chain A (length=458) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARPHVVLLPSAGMGHLVPFARLAVALSEGHGCNVSVAAVQPTVSSAESRL
LDALFVAAAPAVRRLDFRLAPFDESEFPGADPFFLRFEATRRSAPLLGPL
LDAAEASALVTDIVLASVALPVARERGVPCYVLFTSSAAMLSLCAYFPAY
LDAHAAAGSVGVGVGNVDIPGVFRIPKSSVPQALHDPDHLFTQQFVANGR
CLVACDGILVNTFDAFEPDAVTALRQGSITVSGGFPPVFTVGPMLPVTAD
YMRWLSAQPPRSVVYVSFGSRKAIPRDQLRELAAGLEASGKRFLWVVKST
IVDRDDTADLGGLLGDGFLERVQGRAFVTMGWVEQEEILQHGSVGLFISH
CGWNSLTEAAAFGVPVLAWPRFGDQRVNAALVARSGLGAWEEGWTWDGEE
GLTTRKEVAKKIKGMMGYDAVAEKAAKVGDAAAAAIAKCGTSYQSLEEFV
QRCRDAER
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 chain8cgq Chain A Residue 602 [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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PDB8cgq Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix
Resolution2.04 Å
Binding residue
(original residue number in PDB)		S286 W348 V349 Q351 H366 G368 N370 S371 E374
Binding residue
(residue number reindexed from 1)		S270 W332 V333 Q335 H350 G352 N354 S355 E358
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0035251 UDP-glucosyltransferase activity
GO:0047243 flavanone 7-O-beta-glucosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:8cgq, PDBe:8cgq, PDBj:8cgq
PDBsum8cgq
PubMed
UniProtA0A096SRM5|708A6_MAIZE UDP-glycosyltransferase 708A6 (Gene Name=UGT708A6)

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