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Related entries of code: 2aa6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2a3iRCSB PDB    PDBbind12aa, >2A3I_2|Chain... at 100%
2oaxRCSB PDB    PDBbind256aa, >2OAX_1|Chains... at 96%
3vhvRCSB PDB    PDBbind260aa, >3VHV_1|Chain... at 95%
3wffRCSB PDB    PDBbind275aa, >3WFF_1|Chain... at 90%
3wfgRCSB PDB    PDBbind275aa, >3WFG_1|Chain... at 90%
4pf3RCSB PDB    PDBbind275aa, >4PF3_1|Chain... at 90%
4udaRCSB PDB    PDBbind251aa, >4UDA_1|Chain... at 99%
4udbRCSB PDB    PDBbind15aa, >4UDB_2|Chain... at 100%
5hcvRCSB PDB    PDBbind257aa, >5HCV_1|Chains... at 96%
5l7eRCSB PDB    PDBbind305aa, >5L7E_1|Chain... *
5l7gRCSB PDB    PDBbind305aa, >5L7G_1|Chain... at 100%
5l7hRCSB PDB    PDBbind305aa, >5L7H_1|Chain... at 100%
5mwpRCSB PDB    PDBbind15aa, >5MWP_2|Chain... at 100%
5mwyRCSB PDB    PDBbind15aa, >5MWY_2|Chain... at 100%
6gggRCSB PDB    PDBbind305aa, >6GGG_1|Chain... at 100%
6gg8RCSB PDB    PDBbind305aa, >6GG8_1|Chain... at 99%
6gevRCSB PDB    PDBbind15aa, >6GEV_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1a28RCSB PDB    PDBbindSTR
1dbbRCSB PDB    PDBbindSTR
1h60RCSB PDB    PDBbindSTR
4bb2RCSB PDB    PDBbindSTR

Entry Information
PDB ID2aa6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMineralocorticoid Receptor S810L Mutant
Ligand NameSTR
EC.Number E.C.-.-.-.-
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)Kd=0.39nM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference (1996) J. Med. Chem., Vol.39, pp.2860-2864
Ligand Properties
Formula C21H30O2
Molecular Weight 314.462
Exact Mass 314.225
No. of atoms 53
No. of bonds 56
Polar Surface Area 34.14
LOGP Value 4.00      (Computed with XLOGP3)
4.72      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 2
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): P08235  
Entrez Gene IDNCBI Entrez Gene ID: 4306  
ASDInformation of known allosteric effects of PDB entries

 
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