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Related entries of code: 6rj3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5n53RCSB PDB    PDBbind195aa, >5N53_1|Chains... at 100%
5nzoRCSB PDB    PDBbind195aa, >5NZO_1|Chains... at 100%
5nzpRCSB PDB    PDBbind204aa, >5NZP_1|Chains... at 100%
5nzqRCSB PDB    PDBbind223aa, >5NZQ_1|Chains... at 99%
5ofvRCSB PDB    PDBbind223aa, >5OFV_1|Chains... at 99%
5ofwRCSB PDB    PDBbind223aa, >5OFW_1|Chains... at 99%
6rj6RCSB PDB    PDBbind314aa, >6RJ6_1|Chains... at 100%
6rj5RCSB PDB    PDBbind314aa, >6RJ5_1|Chains... at 100%
6rj2RCSB PDB    PDBbind314aa, >6RJ2_1|Chains... at 100%
6rihRCSB PDB    PDBbind314aa, >6RIH_1|Chains... at 100%
6plgRCSB PDB    PDBbind314aa, >6PLG_1|Chains... at 100%
6plfRCSB PDB    PDBbind314aa, >6PLF_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 ID6rj3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePHGDH
Ligand NameK58
EC.Number E.C.-.-.-.-
Resolution 1.42(Å)
Affinity (Kd/Ki/IC50)IC50=0.4uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 7976-7997
Ligand Properties
Formula C20H19N3O3
Molecular Weight 349.383
Exact Mass 349.143
No. of atoms 45
No. of bonds 47
Polar Surface Area 84.22
LOGP Value 4.01      (Computed with XLOGP3)
3.67      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
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): O43175  
Entrez Gene IDNCBI Entrez Gene ID: 26227  
ASDInformation of known allosteric effects of PDB entries
 
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