Structure of PDB 6e4q Chain B Binding Site BS02

Receptor Information
>6e4q Chain B (length=503) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGGPGELGKPVRLPKEMSDEMKKAVDDGWTKNAFNQYVSDLISVHRTLPD
PRDAWCKDEARYLTNLPKTDVIICFHNEAWTVLLRTVHSVLDRSPEHLIG
KIILVDDYSDMPHLKRQLEDYFAAYPKVQIIRGQKREGLIRARILGANHA
KSPVLTYLDSHCECTEGWLEPLLDRIARNSTTVVCPVIDVISDETLEYHY
RDSGGVNVGGFDWNLQFSWHPVPERERKRHNSTAEPVYSPTMAGGLFSID
REFFDRLGTYDSGFDIWGGENLELSFKTWMCGGTLEIVPCSHVGHIFRKR
SPYKNVLKKNSVRLAEVWMDEYSQYYYHRIGNDKGDWGDVSDRRKLRNDL
KCKSFKWYLDNIYPELFIPGDSVAHGEIRNLGYGGRTCLDAPAGKKHQKK
AVGTYPCHRQGGNQYWMLSKAGEIRRDDSCLDYAGKDVTLFGCHGGKGNQ
FWTYRENTKQLHHGTSGKCLAISESKDKLLMEECSASLSRQQWTLENYDS
SKL
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 chain6e4q Chain B Residue 703 [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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PDB6e4q A molecular switch orchestrates enzyme specificity and secretory granule morphology.
Resolution2.799 Å
Binding residue
(original residue number in PDB)		C216 R278 D301 S302 H303 H437 R440 Y445
Binding residue
(residue number reindexed from 1)		C74 R136 D159 S160 H161 H295 R298 Y303
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.41: polypeptide N-acetylgalactosaminyltransferase.
External links
PDB RCSB:6e4q, PDBe:6e4q, PDBj:6e4q
PDBsum6e4q
PubMed30158631
UniProtQ8MRC9|GALT9_DROME Putative polypeptide N-acetylgalactosaminyltransferase 9 (Gene Name=Pgant9)

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