Browse entries in the PDBbind-CN Database

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Related entries of code: 3h0a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1u3rRCSB PDB    PDBbind13aa, >1U3R_2|Chains... *
1u3sRCSB PDB    PDBbind13aa, >1U3S_2|Chains... at 100%
1x76RCSB PDB    PDBbind13aa, >1X76_2|Chains... at 100%
1x78RCSB PDB    PDBbind13aa, >1X78_2|Chains... at 100%
1x7bRCSB PDB    PDBbind13aa, >1X7B_2|Chains... at 100%
1yy4RCSB PDB    PDBbind13aa, >1YY4_2|Chains... at 100%
1yyeRCSB PDB    PDBbind13aa, >1YYE_2|Chains... at 100%
1zafRCSB PDB    PDBbind13aa, >1ZAF_2|Chains... at 100%
3furRCSB PDB    PDBbind12aa, >3FUR_2|Chain... at 91%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3h0a
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePeroxisome Proliferator-Activated Receptor gamma (PPARg)
Ligand NameD30
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=33nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Bioorg.Med.Chem.Lett. Vol. 19: pp. 3550-3554
Ligand Properties
Formula C31H29F3O5S
Molecular Weight 570.619
Exact Mass 570.169
No. of atoms 69
No. of bonds 72
Polar Surface Area 90.29
LOGP Value 9.20      (Computed with XLOGP3)
7.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 5
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): P37231  Q15788  P19793  
Entrez Gene IDNCBI Entrez Gene ID: 5468  8648  6256  
ASDInformation of known allosteric effects of PDB entries

 
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