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Related entries of code: 3mz6
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%
3f0rRCSB PDB    PDBbind388aa, >3F0R_1|Chains... at 100%
3mz3RCSB PDB    PDBbind389aa, >3MZ3_1|Chains... *
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
3mz3RCSB PDB    PDBbindB3N
6pi1RCSB PDB    PDBbindB3N
Entry Information
PDB ID3mz6
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman histone deacetylase 8,HDAC8,mutation D101L
Ligand NameB3N
EC.Number E.C.3.5.1.98
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=63nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Biochemistry Vol. 49: pp. 5048-5056
Ligand Properties
Formula C16H23N3O3
Molecular Weight 305.372
Exact Mass 305.174
No. of atoms 45
No. of bonds 45
Polar Surface Area 78.84
LOGP Value 2.16      (Computed with XLOGP3)
3.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 6
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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