Browse entries in the PDBbind-CN Database

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Related entries of code: 5np8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1kf0RCSB PDB    PDBbind416aa, >1KF0_1|Chain... at 96%
1vjcRCSB PDB    PDBbind416aa, >1VJC_1|Chain... at 97%
1vjdRCSB PDB    PDBbind416aa, >1VJD_1|Chain... at 97%
3c39RCSB PDB    PDBbind420aa, >3C39_1|Chains... *
4o3fRCSB PDB    PDBbind417aa, >4O3F_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5np8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePhosphoglycerate kinase 1
Ligand Name93T
EC.Number E.C.2.7.2.3
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=24uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Neoplasia Vol. 21: pp. 893-907
Ligand Properties
Formula C17H16BrN3O2
Molecular Weight 374.232
Exact Mass 373.043
No. of atoms 39
No. of bonds 41
Polar Surface Area 67.49
LOGP Value 4.68      (Computed with XLOGP3)
3.79      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
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): P00558  
Entrez Gene IDNCBI Entrez Gene ID: 5230  
ASDInformation of known allosteric effects of PDB entries

 
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