Structure of PDB 7jms Chain C Binding Site BS01

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7jms Chain C Residue 201 [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)		Q34 H43
Binding residue
(residue number reindexed from 1)		Q33 H42
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.19.12: ubiquitinyl hydrolase 1.
External links