Structure of PDB 3ujm Chain A Binding Site BS01

Receptor Information
>3ujm Chain A (length=117) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSVGREFVRQYYTLLNKAPNHLHRFYNHNSSYIHGESKLVVGQREIHNRI
QQLNFNDCHAKISQVDAQATLGNGVVVQVTGELSNDGQPMRRFTQTFVLA
AQSPKKYYVHNDIFRYQ
Ligand information
Ligand IDEPE
InChIInChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChIKeyJKMHFZQWWAIEOD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)CCN1CCN(CCO)CC1
OpenEye OEToolkits 1.5.0C1CN(CCN1CCO)CCS(=O)(=O)O
CACTVS 3.341OCCN1CCN(CC1)CC[S](O)(=O)=O
FormulaC8 H18 N2 O4 S
Name4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID;
HEPES
ChEMBLCHEMBL1232545
DrugBankDB16872
ZINCZINC000019203136
PDB chain3ujm Chain A Residue 201 [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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PDB3ujm Crystal structure of the Rasputin NTF2-like domain from Drosophila melanogaster.
Resolution2.741 Å
Binding residue
(original residue number in PDB)		R37 K118 Y120 Y121
Binding residue
(residue number reindexed from 1)		R24 K105 Y107 Y108
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links