Browse entries in the PDBbind-CN Database

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Related entries of code: 3f0r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1t69RCSB PDB    PDBbind377aa, >1T69_1|Chain... at 100%
1w22RCSB PDB    PDBbind377aa, >1W22_1|Chains... at 100%
2v5xRCSB PDB    PDBbind388aa, >2V5X_1|Chains... at 99%
3f07RCSB PDB    PDBbind388aa, >3F07_1|Chains... at 100%
3mz3RCSB PDB    PDBbind389aa, >3MZ3_1|Chains... *
3mz6RCSB PDB    PDBbind389aa, >3MZ6_1|Chain... at 99%
3sffRCSB PDB    PDBbind378aa, >3SFF_1|Chain... at 99%
3sfhRCSB PDB    PDBbind378aa, >3SFH_1|Chain... at 99%
4rn0RCSB PDB    PDBbind389aa, >4RN0_1|Chains... at 99%
4rn1RCSB PDB    PDBbind389aa, >4RN1_1|Chains... at 99%
4rn2RCSB PDB    PDBbind389aa, >4RN2_1|Chains... at 99%
5fcwRCSB PDB    PDBbind383aa, >5FCW_1|Chains... at 100%
5vi6RCSB PDB    PDBbind372aa, >5VI6_1|Chain... at 99%
6hskRCSB PDB    PDBbind380aa, >6HSK_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1c3rRCSB PDB    PDBbindTSN
3c10RCSB PDB    PDBbindTSN
5eduRCSB PDB    PDBbindTSN
5eefRCSB PDB    PDBbindTSN
5eekRCSB PDB    PDBbindTSN
6hoyRCSB PDB    PDBbindTSN
Entry Information
PDB ID3f0r
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman HDAC8
Ligand NameTSN
EC.Number E.C.3.5.1.98
Resolution 2.54(Å)
Affinity (Kd/Ki/IC50)Ki=130nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Eur. J. Med. Chem., Vol.45, pp.2095-2116
Ligand Properties
Formula C17H22N2O3
Molecular Weight 302.368
Exact Mass 302.163
No. of atoms 44
No. of bonds 44
Polar Surface Area 69.64
LOGP Value 2.75      (Computed with XLOGP3)
2.97      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
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): Q9BY41  
Entrez Gene IDNCBI Entrez Gene ID: 55869  
ASDInformation of known allosteric effects of PDB entries
 
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