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Related entries of code: 5ii2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5fh6RCSB PDB    PDBbind124aa, >5FH6_1|Chains... *
5fh7RCSB PDB    PDBbind124aa, >5FH7_1|Chains... at 100%
5fh8RCSB PDB    PDBbind124aa, >5FH8_1|Chains... at 100%
5hrvRCSB PDB    PDBbind124aa, >5HRV_1|Chain... at 100%
5hrwRCSB PDB    PDBbind124aa, >5HRW_1|Chains... at 100%
5hrxRCSB PDB    PDBbind124aa, >5HRX_1|Chains... at 100%
5ii1RCSB PDB    PDBbind124aa, >5II1_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3sz1RCSB PDB    PDBbindLU2
4dewRCSB PDB    PDBbindLU2
4dgnRCSB PDB    PDBbindLU2
4hknRCSB PDB    PDBbindLU2
5auuRCSB PDB    PDBbindLU2
5ndfRCSB PDB    PDBbindLU2
6m8aRCSB PDB    PDBbindLU2
Entry Information
PDB ID5ii2
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namefifth bromodomain of human PB1
Ligand NameLU2
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=12.9uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 8787-8803
Ligand Properties
Formula C15H10O6
Molecular Weight 286.236
Exact Mass 286.048
No. of atoms 31
No. of bonds 33
Polar Surface Area 111.13
LOGP Value 2.31      (Computed with XLOGP3)
2.28      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
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): Q86U86  
Entrez Gene IDNCBI Entrez Gene ID: 55193  
ASDInformation of known allosteric effects of PDB entries
 
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