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Related entries of code: 5efh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5eeiRCSB PDB    PDBbind364aa, >5EEI_1|Chains... *
5eekRCSB PDB    PDBbind364aa, >5EEK_1|Chain... at 100%
5eenRCSB PDB    PDBbind364aa, >5EEN_1|Chains... at 100%
5ef7RCSB PDB    PDBbind364aa, >5EF7_1|Chains... at 100%
5ef8RCSB PDB    PDBbind364aa, >5EF8_1|Chains... at 100%
5efbRCSB PDB    PDBbind364aa, >5EFB_1|Chain... at 100%
5efjRCSB PDB    PDBbind364aa, >5EFJ_1|Chain... at 100%
6cgpRCSB PDB    PDBbind364aa, >6CGP_1|Chain... at 100%
6cspRCSB PDB    PDBbind364aa, >6CSP_1|Chains... at 100%
6csqRCSB PDB    PDBbind364aa, >6CSQ_1|Chains... at 100%
6csrRCSB PDB    PDBbind364aa, >6CSR_1|Chains... at 100%
6cssRCSB PDB    PDBbind364aa, >6CSS_1|Chains... at 100%
6dvlRCSB PDB    PDBbind364aa, >6DVL_1|Chains... at 100%
6dvmRCSB PDB    PDBbind364aa, >6DVM_1|Chains... at 100%
6dvnRCSB PDB    PDBbind364aa, >6DVN_1|Chains... at 100%
6dvoRCSB PDB    PDBbind364aa, >6DVO_1|Chain... at 100%
6mr5RCSB PDB    PDBbind364aa, >6MR5_1|Chains... at 100%
6r0kRCSB PDB    PDBbind359aa, >6R0K_1|Chain... at 100%
6cw8RCSB PDB    PDBbind364aa, >6CW8_1|Chains... at 100%
5w5kRCSB PDB    PDBbind364aa, >5W5K_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4zumRCSB PDB    PDBbindFKS
5td7RCSB PDB    PDBbindFKS
6phzRCSB PDB    PDBbindFKS
6uilRCSB PDB    PDBbindFKS
Entry Information
PDB ID5efh
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameDanio rerio (zebrafish) histone deacetylase 6 catalytic domain 2, HDAC6 (zCD2)
Ligand NameFKS
EC.Number E.C.3.5.1.98
Resolution 2.16(Å)
Affinity (Kd/Ki/IC50)Ki=800nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Nat.Chem.Biol. Vol. 12: pp. 741-747
Ligand Properties
Formula C10H23F3N2O2
Molecular Weight 260.297
Exact Mass 260.171
No. of atoms 40
No. of bonds 39
Polar Surface Area 84.71
LOGP Value 0.37      (Computed with XLOGP3)
-1.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 0
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): F8W4B7  
Entrez Gene IDNCBI Entrez Gene ID: 565482  
ASDInformation of known allosteric effects of PDB entries
 
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