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Related entries of code: 6s55
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6s57RCSB PDB    PDBbind130aa, >6S57_1|Chain... at 100%
6s56RCSB PDB    PDBbind130aa, >6S56_1|Chain... at 100%
4qsuRCSB PDB    PDBbind130aa, >4QSU_1|Chain... *
4qsvRCSB PDB    PDBbind130aa, >4QSV_1|Chain... at 100%
4qswRCSB PDB    PDBbind130aa, >4QSW_1|Chain... at 100%
4qsxRCSB PDB    PDBbind130aa, >4QSX_1|Chain... at 100%
4tt2RCSB PDB    PDBbind130aa, >4TT2_1|Chain... at 100%
4tteRCSB PDB    PDBbind130aa, >4TTE_1|Chain... at 100%
4tu4RCSB PDB    PDBbind130aa, >4TU4_1|Chain... at 100%
4tylRCSB PDB    PDBbind130aa, >4TYL_1|Chain... at 100%
4tz2RCSB PDB    PDBbind130aa, >4TZ2_1|Chain... at 100%
4tz8RCSB PDB    PDBbind130aa, >4TZ8_1|Chain... at 100%
5a5oRCSB PDB    PDBbind130aa, >5A5O_1|Chain... at 100%
5a5pRCSB PDB    PDBbind130aa, >5A5P_1|Chain... at 100%
5a5qRCSB PDB    PDBbind130aa, >5A5Q_1|Chain... at 100%
5a5rRCSB PDB    PDBbind130aa, >5A5R_1|Chain... at 100%
5a81RCSB PDB    PDBbind130aa, >5A81_1|Chain... at 100%
5a82RCSB PDB    PDBbind130aa, >5A82_1|Chain... at 100%
5a83RCSB PDB    PDBbind130aa, >5A83_1|Chain... at 100%
5lj0RCSB PDB    PDBbind130aa, >5LJ0_1|Chain... at 100%
6hdnRCSB PDB    PDBbind130aa, >6HDN_1|Chain... at 100%
6hdoRCSB PDB    PDBbind130aa, >6HDO_1|Chain... 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 ID6s55
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman ATAD2 bromodomain
Ligand NameKW5
EC.Number E.C.3.6.1.3
Resolution 2.09(Å)
Affinity (Kd/Ki/IC50)IC50=631nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 7506-7525
Ligand Properties
Formula C17H21BrN4O5S
Molecular Weight 473.341
Exact Mass 472.042
No. of atoms 49
No. of bonds 51
Polar Surface Area 124.27
LOGP Value 1.16      (Computed with XLOGP3)
2.72      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
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): Q6PL18  
Entrez Gene IDNCBI Entrez Gene ID: 29028  
ASDInformation of known allosteric effects of PDB entries

 
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