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Related entries of code: 4kii
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1gx8RCSB PDB    PDBbind162aa, >1GX8_1|Chain... *
2gj5RCSB PDB    PDBbind162aa, >2GJ5_1|Chain... at 100%
2r56RCSB PDB    PDBbind162aa, >2R56_1|Chains... at 100%
3nq3RCSB PDB    PDBbind162aa, >3NQ3_1|Chain... at 100%
3nq9RCSB PDB    PDBbind162aa, >3NQ9_1|Chain... at 100%
3ueuRCSB PDB    PDBbind162aa, >3UEU_1|Chain... at 100%
3uevRCSB PDB    PDBbind162aa, >3UEV_1|Chain... at 100%
3uewRCSB PDB    PDBbind162aa, >3UEW_1|Chain... at 100%
3uexRCSB PDB    PDBbind162aa, >3UEX_1|Chain... at 100%
4gnyRCSB PDB    PDBbind162aa, >4GNY_1|Chain... at 100%
6ge7RCSB PDB    PDBbind162aa, >6GE7_1|Chain... at 100%
6gf9RCSB PDB    PDBbind162aa, >6GF9_1|Chain... at 100%
6gfsRCSB PDB    PDBbind162aa, >6GFS_1|Chain... at 100%
6ghhRCSB PDB    PDBbind162aa, >6GHH_1|Chain... at 100%
6qi7RCSB PDB    PDBbind162aa, >6QI7_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4kii
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-lactoglobulin
Ligand NameRHL
EC.Number E.C.-.-.-.-
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Kd=0.59uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Eur.J.Inorg.Chem. Vol. 21: pp. 3596-3600
Ligand Properties
Formula C22H31N3ORh
Molecular Weight 456.407
Exact Mass 456.152
No. of atoms 58
No. of bonds 61
Polar Surface Area 46.09
LOGP Value -2.99      (Computed with XLOGP3)
4.54      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 4
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): P02754  
Entrez Gene IDNCBI Entrez Gene ID: 280838  
ASDInformation of known allosteric effects of PDB entries

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