Structure of PDB 7jms Chain C Binding Site BS02

Receptor Information
>7jms Chain C (length=159) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFLEGITWDSVSDIQSVSNPSFTITDYFEVVRQPADGNCFYHSLAELYIP
NKSDHAYRLVKNELREAAEKYFPTEPEAAATGMRLDEYLDTALRDNEWGG
SLEAAMLSRHLGLTVVIWLVDGSNRVVGATRFGKGSLKTALHLLHSGLTH
FDALRLLAT
Ligand information
Ligand IDAYE
InChIInChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2
InChIKeyVVJKKWFAADXIJK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCC=C
OpenEye OEToolkits 1.5.0C=CCN
ACDLabs 10.04C=C\CN
FormulaC3 H7 N
Nameprop-2-en-1-amine;
ALLYLAMINE
ChEMBLCHEMBL57286
DrugBank
ZINCZINC000017654097
PDB chain7jms Chain D Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7jms Flipping the substrate preference of Hazara virus ovarian tumour domain protease through structure-based mutagenesis.
Resolution2.78 Å
Binding residue
(original residue number in PDB)		G38 C40 T150
Binding residue
(residue number reindexed from 1)		G37 C39 T149
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.19.12: ubiquitinyl hydrolase 1.
External links