Structure of PDB 6e4q Chain A Binding Site BS01

Receptor Information
>6e4q Chain A (length=505) 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
SPYKWRNVLKKNSVRLAEVWMDEYSQYYYHRIGNDKGDWGDVSDRRKLRN
DLKCKSFKWYLDNIYPELFIPGDSVAHGEIRNLGYGGRTCLDAPAGKKHQ
KKAVGTYPCHRQGGNQYWMLSKAGEIRRDDSCLDYAGKDVTLFGCHGGKG
NQFWTYRENTKQLHHGTSGKCLAISESKDKLLMEECSASLSRQQWTLENY
DSSKL
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain6e4q Chain A Residue 701 [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)		D301 H303 H437
Binding residue
(residue number reindexed from 1)		D159 H161 H295
Annotation score1
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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