Browse entries in the PDBbind-CN Database

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Related entries of code: 6r0k
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%
5efhRCSB PDB    PDBbind364aa, >5EFH_1|Chains... 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%
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6r0k
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDanio rerio histone deacetylase 6 (HDAC6) CD2
Ligand NameJNN
EC.Number E.C.-.-.-.-
Resolution 1.15(Å)
Affinity (Kd/Ki/IC50)IC50=0.012uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 8557-8577
Ligand Properties
Formula C13H11Cl2N3O4
Molecular Weight 344.150
Exact Mass 343.013
No. of atoms 33
No. of bonds 34
Polar Surface Area 104.46
LOGP Value 2.01      (Computed with XLOGP3)
2.85      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
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): F8W4B7  
Entrez Gene IDNCBI Entrez Gene ID: 565482  
ASDInformation of known allosteric effects of PDB entries
 
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