Browse entries in the PDBbind-CN Database

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Related entries of code: 4mr5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4j1pRCSB PDB    PDBbind114aa, >4J1P_1|Chain... at 98%
4mr6RCSB PDB    PDBbind114aa, >4MR6_1|Chain... at 98%
4qevRCSB PDB    PDBbind114aa, >4QEV_1|Chain... at 97%
4qewRCSB PDB    PDBbind114aa, >4QEW_1|Chain... at 97%
4uygRCSB PDB    PDBbind157aa, >4UYG_1|Chains... *
5dw1RCSB PDB    PDBbind113aa, >5DW1_1|Chains... at 98%
5ek9RCSB PDB    PDBbind114aa, >5EK9_1|Chains... at 98%
5u6vRCSB PDB    PDBbind110aa, >5U6V_1|Chain... at 99%
6moaRCSB PDB    PDBbind110aa, >6MOA_1|Chain... at 100%
6k04RCSB PDB    PDBbind112aa, >6K04_1|Chain... at 100%
6ffgRCSB PDB    PDBbind115aa, >6FFG_1|Chain... at 97%
6fffRCSB PDB    PDBbind115aa, >6FFF_1|Chain... at 97%
6ffeRCSB PDB    PDBbind115aa, >6FFE_1|Chain... at 97%
6e6jRCSB PDB    PDBbind112aa, >6E6J_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4j1pRCSB PDB    PDBbind1K0
4j3iRCSB PDB    PDBbind1K0
4mr3RCSB PDB    PDBbind1K0
4mr4RCSB PDB    PDBbind1K0
4mr6RCSB PDB    PDBbind1K0
Entry Information
PDB ID4mr5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBromodomain-containing protein 2
Ligand Name1K0
EC.Number E.C.-.-.-.-
Resolution 1.63(Å)
Affinity (Kd/Ki/IC50)Kd=251nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Proc.Natl.Acad.Sci.USA Vol. 110: pp. 19754-19759
Ligand Properties
Formula C18H18N2O4
Molecular Weight 326.347
Exact Mass 326.127
No. of atoms 42
No. of bonds 44
Polar Surface Area 84.44
LOGP Value 2.67      (Computed with XLOGP3)
2.93      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
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): P25440  
Entrez Gene IDNCBI Entrez Gene ID: 6046  
ASDInformation of known allosteric effects of PDB entries
 
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