Browse entries in the PDBbind-CN Database

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Related entries of code: 5a82
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%
6s55RCSB PDB    PDBbind130aa, >6S55_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%
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 ID5a82
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman ATAD2 bromodomain
Ligand NameYEJ
EC.Number E.C.3.6.1.3
Resolution 1.86(Å)
Affinity (Kd/Ki/IC50)IC50=2.51uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 6151-6178
Ligand Properties
Formula C20H29N4O4S
Molecular Weight 421.534
Exact Mass 421.191
No. of atoms 58
No. of bonds 61
Polar Surface Area 126.14
LOGP Value 0.76      (Computed with XLOGP3)
2.91      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
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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