Browse entries in the PDBbind-CN Database

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Related entries of code: 5o45
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1a37RCSB PDB    PDBbind15-mer
1eolRCSB PDB    PDBbind15-mer
1j7zRCSB PDB    PDBbind15-mer
1j80RCSB PDB    PDBbind15-mer
1j81RCSB PDB    PDBbind15-mer
1jycRCSB PDB    PDBbind15-mer
1kc5RCSB PDB    PDBbind15-mer
1kcsRCSB PDB    PDBbind15-mer
1klgRCSB PDB    PDBbind15-mer
1kluRCSB PDB    PDBbind15-mer
1knaRCSB PDB    PDBbind15-mer
1kneRCSB PDB    PDBbind15-mer
1om9RCSB PDB    PDBbind15-mer
1t08RCSB PDB    PDBbind15-mer
1t79RCSB PDB    PDBbind15-mer
1t7fRCSB PDB    PDBbind15-mer
1t7rRCSB PDB    PDBbind15-mer
1tetRCSB PDB    PDBbind15-mer
1w70RCSB PDB    PDBbind15-mer
1xhmRCSB PDB    PDBbind15-mer
2aq9RCSB PDB    PDBbind15-mer
2aucRCSB PDB    PDBbind15-mer
2bbaRCSB PDB    PDBbind15-mer
2co0RCSB PDB    PDBbind15-mer
2d1xRCSB PDB    PDBbind15-mer
2f6jRCSB PDB    PDBbind15-mer
2fsaRCSB PDB    PDBbind15-mer
2fuuRCSB PDB    PDBbind15-mer
2jk9RCSB PDB    PDBbind15-mer
2k00RCSB PDB    PDBbind15-mer
2kspRCSB PDB    PDBbind15-mer
2kwnRCSB PDB    PDBbind15-mer
2l11RCSB PDB    PDBbind15-mer
2l12RCSB PDB    PDBbind15-mer
2l1bRCSB PDB    PDBbind15-mer
2lbmRCSB PDB    PDBbind15-mer
2lgfRCSB PDB    PDBbind15-mer
2ltxRCSB PDB    PDBbind15-mer
2ltyRCSB PDB    PDBbind15-mer
2ltzRCSB PDB    PDBbind15-mer
2m41RCSB PDB    PDBbind15-mer
2mwoRCSB PDB    PDBbind15-mer
2mwyRCSB PDB    PDBbind15-mer
2n9eRCSB PDB    PDBbind15-mer
2pmcRCSB PDB    PDBbind15-mer
2rnwRCSB PDB    PDBbind15-mer
2rnyRCSB PDB    PDBbind15-mer
2vwfRCSB PDB    PDBbind15-mer
2w0pRCSB PDB    PDBbind15-mer
2xxnRCSB PDB    PDBbind15-mer
2z5sRCSB PDB    PDBbind15-mer
2z5tRCSB PDB    PDBbind15-mer
3b95RCSB PDB    PDBbind15-mer
3btrRCSB PDB    PDBbind15-mer
3bu6RCSB PDB    PDBbind15-mer
3cfsRCSB PDB    PDBbind15-mer
3dabRCSB PDB    PDBbind15-mer
3fdtRCSB PDB    PDBbind15-mer
3gheRCSB PDB    PDBbind15-mer
3gv6RCSB PDB    PDBbind15-mer
3h1zRCSB PDB    PDBbind15-mer
3h91RCSB PDB    PDBbind15-mer
3hqhRCSB PDB    PDBbind15-mer
3jpxRCSB PDB    PDBbind15-mer
3l3qRCSB PDB    PDBbind15-mer
3l6fRCSB PDB    PDBbind15-mer
3m17RCSB PDB    PDBbind15-mer
3o6lRCSB PDB    PDBbind15-mer
3ql9RCSB PDB    PDBbind15-mer
3qlcRCSB PDB    PDBbind15-mer
3qo2RCSB PDB    PDBbind15-mer
3qxdRCSB PDB    PDBbind15-mer
3r93RCSB PDB    PDBbind15-mer
3uigRCSB PDB    PDBbind15-mer
3uihRCSB PDB    PDBbind15-mer
3uijRCSB PDB    PDBbind15-mer
3wp0RCSB PDB    PDBbind15-mer
3wsyRCSB PDB    PDBbind15-mer
4b4nRCSB PDB    PDBbind15-mer
4bxuRCSB PDB    PDBbind15-mer
4cy1RCSB PDB    PDBbind15-mer
4dmaRCSB PDB    PDBbind15-mer
4dx9RCSB PDB    PDBbind15-mer
4ezoRCSB PDB    PDBbind15-mer
4ft2RCSB PDB    PDBbind15-mer
4gnfRCSB PDB    PDBbind15-mer
4gngRCSB PDB    PDBbind15-mer
4hfzRCSB PDB    PDBbind15-mer
4iurRCSB PDB    PDBbind15-mer
4iutRCSB PDB    PDBbind15-mer
4iuuRCSB PDB    PDBbind15-mer
4iuvRCSB PDB    PDBbind15-mer
4j8sRCSB PDB    PDBbind15-mer
4k0uRCSB PDB    PDBbind15-mer
4n3wRCSB PDB    PDBbind15-mer
4n5tRCSB PDB    PDBbind15-mer
4nb3RCSB PDB    PDBbind15-mer
4nmxRCSB PDB    PDBbind15-mer
4nw2RCSB PDB    PDBbind15-mer
4o36RCSB PDB    PDBbind15-mer
4o37RCSB PDB    PDBbind15-mer
4o3uRCSB PDB    PDBbind15-mer
4o42RCSB PDB    PDBbind15-mer
4o45RCSB PDB    PDBbind15-mer
4os1RCSB PDB    PDBbind15-mer
4os4RCSB PDB    PDBbind15-mer
4os5RCSB PDB    PDBbind15-mer
4os7RCSB PDB    PDBbind15-mer
4psxRCSB PDB    PDBbind15-mer
4r1eRCSB PDB    PDBbind15-mer
4r3sRCSB PDB    PDBbind15-mer
4rrvRCSB PDB    PDBbind15-mer
4u0aRCSB PDB    PDBbind15-mer
4u0bRCSB PDB    PDBbind15-mer
4u6xRCSB PDB    PDBbind15-mer
4u6yRCSB PDB    PDBbind15-mer
4xynRCSB PDB    PDBbind15-mer
5cfaRCSB PDB    PDBbind15-mer
5cinRCSB PDB    PDBbind15-mer
5cqxRCSB PDB    PDBbind15-mer
5difRCSB PDB    PDBbind15-mer
5eppRCSB PDB    PDBbind15-mer
5etfRCSB PDB    PDBbind15-mer
5fb0RCSB PDB    PDBbind15-mer
5fb1RCSB PDB    PDBbind15-mer
5h5qRCSB PDB    PDBbind15-mer
5h5rRCSB PDB    PDBbind15-mer
5ix1RCSB PDB    PDBbind15-mer
5izuRCSB PDB    PDBbind15-mer
5j19RCSB PDB    PDBbind15-mer
5j9kRCSB PDB    PDBbind15-mer
5jlzRCSB PDB    PDBbind15-mer
5ksuRCSB PDB    PDBbind15-mer
5ksvRCSB PDB    PDBbind15-mer
5kzpRCSB PDB    PDBbind15-mer
5laxRCSB PDB    PDBbind15-mer
5mloRCSB PDB    PDBbind15-mer
5svzRCSB PDB    PDBbind15-mer
5t1iRCSB PDB    PDBbind15-mer
5twgRCSB PDB    PDBbind15-mer
5u66RCSB PDB    PDBbind15-mer
5ul6RCSB PDB    PDBbind15-mer
5uwjRCSB PDB    PDBbind15-mer
5v4bRCSB PDB    PDBbind15-mer
5vb9RCSB PDB    PDBbind15-mer
5vzyRCSB PDB    PDBbind15-mer
5wirRCSB PDB    PDBbind15-mer
5ypoRCSB PDB    PDBbind15-mer
5znpRCSB PDB    PDBbind15-mer
5zujRCSB PDB    PDBbind15-mer
6atvRCSB PDB    PDBbind15-mer
6b5mRCSB PDB    PDBbind15-mer
6b5oRCSB PDB    PDBbind15-mer
6b5rRCSB PDB    PDBbind15-mer
6b5tRCSB PDB    PDBbind15-mer
6bizRCSB PDB    PDBbind15-mer
6f0yRCSB PDB    PDBbind15-mer
6rmmRCSB PDB    PDBbind15-mer
6rmlRCSB PDB    PDBbind15-mer
6q9tRCSB PDB    PDBbind15-mer
6holRCSB PDB    PDBbind15-mer
6e5xRCSB PDB    PDBbind15-mer
6bntRCSB PDB    PDBbind15-mer
5zk9RCSB PDB    PDBbind15-mer
5zjzRCSB PDB    PDBbind15-mer
5vtbRCSB PDB    PDBbind15-mer
6a5eRCSB PDB    PDBbind15-mer
Entry Information
PDB ID5o45
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProgrammed cell death 1 ligand 1
Ligand Name15-mer
EC.Number E.C.-.-.-.-
Resolution 0.99(Å)
Affinity (Kd/Ki/IC50)IC50=9nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Angew. Chem. Int. Ed. Engl. Vol. 56: pp. 13732-13735
Ligand Properties
Formula C93H118N16O19S
Molecular Weight 1796.090
Exact Mass 1794.850
No. of atoms 247
No. of bonds 254
Polar Surface Area 525.39
LOGP Value 8.63      (Computed with XLOGP3)
5.74      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 25
No. of Nitrogen and Oxygen Atoms: 35
No. of Rings: 8
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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