Browse entries in the PDBbind-CN Database

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Related entries of code: 4fxj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1t5aRCSB PDB    PDBbind567aa, >1T5A_1|Chains... *
4b2dRCSB PDB    PDBbind548aa, >4B2D_1|Chains... at 98%
4fxfRCSB PDB    PDBbind551aa, >4FXF_1|Chains... at 98%
6b6uRCSB PDB    PDBbind525aa, >6B6U_1|Chains... at 99%
6gg4RCSB PDB    PDBbind551aa, >6GG4_1|Chains... at 97%
6gg5RCSB PDB    PDBbind551aa, >6GG5_1|Chains... at 97%
6nu5RCSB PDB    PDBbind551aa, >6NU5_1|Chains... at 97%
6nu1RCSB PDB    PDBbind551aa, >6NU1_1|Chains... at 97%
6gg3RCSB PDB    PDBbind551aa, >6GG3_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1f2pRCSB PDB    PDBbindPHE
1usiRCSB PDB    PDBbindPHE
2ypoRCSB PDB    PDBbindPHE
3tcyRCSB PDB    PDBbindPHE
3tk2RCSB PDB    PDBbindPHE
4io7RCSB PDB    PDBbindPHE
4jpxRCSB PDB    PDBbindPHE
4jpyRCSB PDB    PDBbindPHE
4uc5RCSB PDB    PDBbindPHE
6gg4RCSB PDB    PDBbindPHE
Entry Information
PDB ID4fxj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePyruvate kinase isozymes M1/M2
Ligand NamePHE
EC.Number E.C.2.7.1.40
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)IC50=240uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Proc.Natl.Acad.Sci.USA Vol. 110: pp. 5881-5886
Ligand Properties
Formula C9H12NO2
Molecular Weight 166.197
Exact Mass 166.087
No. of atoms 24
No. of bonds 24
Polar Surface Area 64.94
LOGP Value -0.53      (Computed with XLOGP3)
-0.08      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
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): P14618  
Entrez Gene IDNCBI Entrez Gene ID: 5315  
ASDInformation of known allosteric effects of PDB entries
 
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