Browse entries in the PDBbind-CN Database

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Related entries of code: 4psq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1erbRCSB PDB    PDBbind183aa, >1ERB_1|Chain... at 92%
1rbpRCSB PDB    PDBbind182aa, >1RBP_1|Chain... at 100%
3fmzRCSB PDB    PDBbind212aa, >3FMZ_1|Chains... at 100%
4o9sRCSB PDB    PDBbind215aa, >4O9S_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4psq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRetinol-binding protein 4 RBP4
Ligand Name2WL
EC.Number E.C.-.-.-.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=0.44uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Bioorg.Med.Chem.Lett. Vol. 24: pp. 2885-2891
Ligand Properties
Formula C21H21ClN4O
Molecular Weight 380.871
Exact Mass 380.140
No. of atoms 48
No. of bonds 51
Polar Surface Area 41.37
LOGP Value 3.62      (Computed with XLOGP3)
3.55      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
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): P02753  
Entrez Gene IDNCBI Entrez Gene ID: 5950  
ASDInformation of known allosteric effects of PDB entries

 
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