Browse entries in the PDBbind-CN Database

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Related entries of code: 1t69
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1w22RCSB PDB    PDBbind377aa, >1W22_1|Chains... at 100%
2v5xRCSB PDB    PDBbind388aa, >2V5X_1|Chains... at 99%
3f07RCSB PDB    PDBbind388aa, >3F07_1|Chains... at 100%
3f0rRCSB PDB    PDBbind388aa, >3F0R_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
1zz1RCSB PDB    PDBbindSHH
3c0zRCSB PDB    PDBbindSHH
4lxzRCSB PDB    PDBbindSHH
5eeiRCSB PDB    PDBbindSHH
Entry Information
PDB ID1t69
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman HDAC8
Ligand NameSHH
EC.Number E.C.3.5.1.98
Resolution 2.91(Å)
Affinity (Kd/Ki/IC50)Ki=0.48uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Nat. Chem. Biol., Vol.6, pp.238-243
Ligand Properties
Formula C14H20N2O3
Molecular Weight 264.320
Exact Mass 264.147
No. of atoms 39
No. of bonds 39
Polar Surface Area 78.43
LOGP Value 1.59      (Computed with XLOGP3)
2.94      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 11
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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