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Related entries of code: 6rj2
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%
6rj3RCSB PDB    PDBbind314aa, >6RJ3_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 ID6rj2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePHGDH
Ligand NameK52
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=0.1uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 7976-7997
Ligand Properties
Formula C21H22N4O4S
Molecular Weight 426.489
Exact Mass 426.136
No. of atoms 52
No. of bonds 54
Polar Surface Area 118.54
LOGP Value 2.15      (Computed with XLOGP3)
4.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
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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