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Related entries of code: 4eoh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4en4RCSB PDB    PDBbind312aa, >4EN4_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2a3aRCSB PDB    PDBbindTEP

Entry Information
PDB ID4eoh
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePyridoxal Kinase
Ligand NameTEP
EC.Number E.C.2.7.1.35
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=50uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Plos One Vol. 7: pp. e40954-e40954
Ligand Properties
Formula C7H8N4O2
Molecular Weight 180.164
Exact Mass 180.065
No. of atoms 21
No. of bonds 22
Polar Surface Area 72.68
LOGP Value -0.38      (Computed with XLOGP3)
-1.04      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
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): O00764  
Entrez Gene IDNCBI Entrez Gene ID: 8566  
ASDInformation of known allosteric effects of PDB entries

 
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