Structure of PDB 5c2f Chain A Binding Site BS03

Receptor Information
>5c2f Chain A (length=230) Species: 10761 (Lederbergvirus Sf6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAIIKREWLEAATDAHKKLGWKAKGAVVSAHDPSDTGPDAKGYASRHGSV
VKRIAEGLLMDINEGADWATSLAIEDGADHYLWDGDGVGAGLRRQTTEAF
SGKKITATMFKGSESPFDEDAPYQAVRTIGDVFRNKRAQFYYALADRLYL
TYRAVVHGEYADPDDMLSFDKEAIGEKMLEKLFAELTQIQRKFNNNGKLE
LMTAVEMKQKLGIPSPNLADALMMCMHCPA
Ligand information
Ligand IDJTH
InChIInChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)
InChIKeyHVGNSPLLPQWYGC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)C1=CC=C(O)C(=O)C(=C1)O
ACDLabs 11.02O=C1C(O)=CC=C(C=C1O)C(C)C
OpenEye OEToolkits 1.7.0CC(C)C1=CC=C(C(=O)C(=C1)O)O
FormulaC10 H12 O3
Name2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one;
beta-thujaplicinol
ChEMBLCHEMBL550937
DrugBank
ZINCZINC000005447539
PDB chain5c2f Chain A Residue 503 [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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PDB5c2f Two distinct modes of metal ion binding in the nuclease active site of a viral DNA-packaging terminase: insight into the two-metal-ion catalytic mechanism.
Resolution1.86 Å
Binding residue
(original residue number in PDB)		D244 V429 S439
Binding residue
(residue number reindexed from 1)		D32 V205 S215
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links