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Related entries of code: 6a9o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5ytoRCSB PDB    PDBbind180aa, >5YTO_1|Chains... *
5ytuRCSB PDB    PDBbind180aa, >5YTU_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6a9o
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSuperoxide dismutase [Cu-Zn]
Ligand Name6B3
EC.Number E.C.1.15.1.1
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Kd=5.7uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Biomol.Struct.Dyn. Vol. 37: pp. 3936-3946
Ligand Properties
Formula C20H14N2O2
Molecular Weight 314.337
Exact Mass 314.106
No. of atoms 38
No. of bonds 41
Polar Surface Area 61.96
LOGP Value 3.30      (Computed with XLOGP3)
4.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P00441  
Entrez Gene IDNCBI Entrez Gene ID: 6647  
ASDInformation of known allosteric effects of PDB entries

 
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