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Related entries of code: 6rpg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5n2fRCSB PDB    PDBbind124aa, >5N2F_2|Chain... at 94%
5xxyRCSB PDB    PDBbind124aa, >5XXY_3|Chain... at 93%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6rpg
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman Programmed cell death 1 ligand 1 (PD-L1)
Ligand NameKDW
EC.Number E.C.-.-.-.-
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50=3.0nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 7250-7263
Ligand Properties
Formula C54H60N8O6
Molecular Weight 917.104
Exact Mass 916.464
No. of atoms 128
No. of bonds 133
Polar Surface Area 201.7
LOGP Value 5.53      (Computed with XLOGP3)
6.62      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 25
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 6
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): Q9NZQ7  
Entrez Gene IDNCBI Entrez Gene ID: 29126  
ASDInformation of known allosteric effects of PDB entries
 
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