Browse entries in the PDBbind-CN Database

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Related entries of code: 5n21
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3lbzRCSB PDB    PDBbind127aa, >3LBZ_1|Chains... at 96%
5h7hRCSB PDB    PDBbind141aa, >5H7H_1|Chain... at 100%
5mw2RCSB PDB    PDBbind126aa, >5MW2_1|Chain... at 96%
5mw6RCSB PDB    PDBbind126aa, >5MW6_1|Chains... at 96%
5mwdRCSB PDB    PDBbind126aa, >5MWD_1|Chain... at 96%
5n1xRCSB PDB    PDBbind118aa, >5N1X_3|Chain... at 96%
5n1zRCSB PDB    PDBbind123aa, >5N1Z_1|Chain... at 97%
5n20RCSB PDB    PDBbind123aa, >5N20_1|Chain... at 97%
5x4mRCSB PDB    PDBbind141aa, >5X4M_1|Chain... at 100%
5x4nRCSB PDB    PDBbind141aa, >5X4N_1|Chain... at 100%
5x4oRCSB PDB    PDBbind141aa, >5X4O_1|Chain... at 100%
5x4pRCSB PDB    PDBbind141aa, >5X4P_1|Chain... at 100%
5x4qRCSB PDB    PDBbind141aa, >5X4Q_1|Chain... at 100%
5x9oRCSB PDB    PDBbind141aa, >5X9O_1|Chain... at 100%
5x9pRCSB PDB    PDBbind141aa, >5X9P_1|Chain... at 100%
6ew6RCSB PDB    PDBbind123aa, >6EW6_1|Chain... at 96%
6ew7RCSB PDB    PDBbind122aa, >6EW7_1|Chains... at 97%
6cq1RCSB PDB    PDBbind131aa, >6CQ1_1|Chains... at 92%
6c3nRCSB PDB    PDBbind131aa, >6C3N_1|Chains... at 92%
6c3lRCSB PDB    PDBbind131aa, >6C3L_1|Chains... at 92%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5n21
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameB-cell lymphoma 6 protein
Ligand Name8HN
EC.Number E.C.-.-.-.-
Resolution 1.58(Å)
Affinity (Kd/Ki/IC50)Kd=1.1uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Med. Chem. Vol. 60: pp. 4386-4402
Ligand Properties
Formula C22H21N7O3
Molecular Weight 431.447
Exact Mass 431.171
No. of atoms 53
No. of bonds 57
Polar Surface Area 135.65
LOGP Value 3.02      (Computed with XLOGP3)
2.95      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
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): P41182  
Entrez Gene IDNCBI Entrez Gene ID: 604  
ASDInformation of known allosteric effects of PDB entries
 
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