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Related entries of code: 4yl3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4yk5RCSB PDB    PDBbind154aa, >4YK5_1|Chain... *
4yl0RCSB PDB    PDBbind148aa, >4YL0_1|Chain... at 100%
4yl1RCSB PDB    PDBbind148aa, >4YL1_1|Chain... at 100%
5bqgRCSB PDB    PDBbind154aa, >5BQG_1|Chain... at 98%
5bqhRCSB PDB    PDBbind154aa, >5BQH_1|Chain... at 98%
5bqiRCSB PDB    PDBbind154aa, >5BQI_1|Chain... at 98%
5k0iRCSB PDB    PDBbind154aa, >5K0I_1|Chain... at 98%
5t36RCSB PDB    PDBbind154aa, >5T36_1|Chain... at 98%
5t37RCSB PDB    PDBbind154aa, >5T37_1|Chain... at 98%
5tl9RCSB PDB    PDBbind154aa, >5TL9_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4yl3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProstaglandin E synthase, mPGES-1
Ligand Name4U9
EC.Number E.C.5.3.99.3
Resolution 1.41(Å)
Affinity (Kd/Ki/IC50)IC50=0.007uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 4727-4737
Ligand Properties
Formula C23H11BrClF4N3
Molecular Weight 520.704
Exact Mass 518.976
No. of atoms 43
No. of bonds 46
Polar Surface Area 41.57
LOGP Value 7.01      (Computed with XLOGP3)
7.11      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
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): O14684  
Entrez Gene IDNCBI Entrez Gene ID: 9536  
ASDInformation of known allosteric effects of PDB entries
 
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