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Related entries of code: 4jbl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1pg2RCSB PDB    PDBbindMET
1qq9RCSB PDB    PDBbindMET
1wkmRCSB PDB    PDBbindMET
3f3dRCSB PDB    PDBbindMET
4io6RCSB PDB    PDBbindMET
6ojaRCSB PDB    PDBbindMET
6ahiRCSB PDB    PDBbindMET
Entry Information
PDB ID4jbl
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCysteine synthase
Ligand NameMET
EC.Number E.C.2.5.1.47
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=0.54mM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Biochim.Biophys.Acta Vol. 1830: pp. 4573-4583
Ligand Properties
Formula C5H12NO2S
Molecular Weight 150.219
Exact Mass 150.059
No. of atoms 21
No. of bonds 20
Polar Surface Area 90.24
LOGP Value -1.47      (Computed with XLOGP3)
-0.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 0
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): O15570  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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