Browse entries in the PDBbind-CN Database

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Related entries of code: 6i61
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1vjbRCSB PDB    PDBbind251aa, >1VJB_1|Chains... *
2e2rRCSB PDB    PDBbind244aa, >2E2R_1|Chain... at 94%
2ewpRCSB PDB    PDBbind226aa, >2EWP_1|Chains... at 100%
2p7aRCSB PDB    PDBbind251aa, >2P7A_1|Chain... at 100%
2p7gRCSB PDB    PDBbind251aa, >2P7G_1|Chain... at 100%
2p7zRCSB PDB    PDBbind251aa, >2P7Z_1|Chain... at 100%
2zasRCSB PDB    PDBbind244aa, >2ZAS_1|Chain... at 94%
6i67RCSB PDB    PDBbind241aa, >6I67_1|Chain... at 95%
6i66RCSB PDB    PDBbind241aa, >6I66_1|Chain... at 95%
6i65RCSB PDB    PDBbind241aa, >6I65_1|Chain... at 95%
6i64RCSB PDB    PDBbind241aa, >6I64_1|Chain... at 95%
6i63RCSB PDB    PDBbind237aa, >6I63_1|Chain... at 97%
6i62RCSB PDB    PDBbind237aa, >6I62_1|Chain... at 97%
5ysoRCSB PDB    PDBbind238aa, >5YSO_1|Chains... at 96%
6a6kRCSB PDB    PDBbind238aa, >6A6K_1|Chains... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6i61
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameERRg
Ligand NameH3W
EC.Number E.C.-.-.-.-
Resolution 1.65(Å)
Affinity (Kd/Ki/IC50)Kd=569.0nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Cell.Mol.Life Sci. Vol. 76: pp. 4769-4781
Ligand Properties
Formula C16H18O2
Molecular Weight 242.313
Exact Mass 242.131
No. of atoms 36
No. of bonds 37
Polar Surface Area 40.46
LOGP Value 4.55      (Computed with XLOGP3)
3.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
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): P62508  
Entrez Gene IDNCBI Entrez Gene ID: 2104  
ASDInformation of known allosteric effects of PDB entries
 
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