Browse entries in the PDBbind-CN Database

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Related entries of code: 4en4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4eohRCSB PDB    PDBbind312aa, >4EOH_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4en4
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePyridoxal kinase
Ligand NameGT0
EC.Number E.C.2.7.1.35
Resolution 2.15(Å)
Affinity (Kd/Ki/IC50)Ki=3uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Plos One Vol. 7: pp. e40954-e40954
Ligand Properties
Formula C9H13NO3
Molecular Weight 183.204
Exact Mass 183.090
No. of atoms 26
No. of bonds 26
Polar Surface Area 62.58
LOGP Value -0.34      (Computed with XLOGP3)
0.73      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 4
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): O00764  
Entrez Gene IDNCBI Entrez Gene ID: 8566  
ASDInformation of known allosteric effects of PDB entries

 
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