Structure of PDB 7q4i Chain A Binding Site BS02

Receptor Information
>7q4i Chain A (length=279) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENSTIAERLYSEVRVLCWIMTNPSNHQKKARHVKRTWGKRCNKLIFMSSA
KDDELDAVALPVGEGRNNLWGKTKEAYKYIYEHHINDADWFLKADDDTYT
IVENMRYMLYPYSPETPVYFGCKFKPYVKQGYMSGGAGYVLSREAVRRFV
VEALPNPKLCKSDNSGAEDVEIGKCLQNVNVLAGDSRDSNGRGRFFPFVP
EHHLIPSHTDKKFWYWQYIFYKTDEGLDCCSDNAISFHYVSPNQMYVLDY
LIYHLRPYGIINTPDALPNKLAVGELMPE
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 chain7q4i Chain A 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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PDB7q4i Structural basis for the synthesis of the core 1 structure by C1GalT1.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		M106 N108 E150 G151 R152 L155 D181 D182 D183 H324 Y325
Binding residue
(residue number reindexed from 1)		M20 N22 E64 G65 R66 L69 D95 D96 D97 H238 Y239
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.122: N-acetylgalactosaminide beta-1,3-galactosyltransferase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7q4i, PDBe:7q4i, PDBj:7q4i
PDBsum7q4i
PubMed35504880
UniProtQ7K237|C1GLT_DROME Glycoprotein-N-acetylgalactosamine 3-beta-galactosyltransferase 1 (Gene Name=C1GalTA)

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