Browse entries in the PDBbind-CN Database

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Related entries of code: 4e1k
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2vd4RCSB PDB    PDBbind456aa, >2VD4_1|Chain... *
4knrRCSB PDB    PDBbind456aa, >4KNR_1|Chain... at 100%
4knxRCSB PDB    PDBbind456aa, >4KNX_1|Chain... at 100%
4kpxRCSB PDB    PDBbind456aa, >4KPX_1|Chain... at 100%
4kpzRCSB PDB    PDBbind456aa, >4KPZ_1|Chain... at 100%
4kqlRCSB PDB    PDBbind456aa, >4KQL_1|Chain... 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 ID4e1k
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBifunctional protein GlmU
Ligand Name0N5
EC.Number E.C.2.3.1.157; 2.7.7.23
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=0.5uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Biochem.J. Vol. 446: pp. 405-413
Ligand Properties
Formula C22H18N4O3
Molecular Weight 386.403
Exact Mass 386.138
No. of atoms 47
No. of bonds 50
Polar Surface Area 96.37
LOGP Value 3.87      (Computed with XLOGP3)
4.49      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
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): P43889  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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