Browse entries in the PDBbind-CN Database

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Related entries of code: 4kyk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1qinRCSB PDB    PDBbind183aa, >1QIN_1|Chains... at 100%
2za0RCSB PDB    PDBbind184aa, >2ZA0_1|Chains... at 90%
3vw9RCSB PDB    PDBbind187aa, >3VW9_1|Chains... *
4kyhRCSB PDB    PDBbind184aa, >4KYH_1|Chains... at 90%
4pv5RCSB PDB    PDBbind183aa, >4PV5_1|Chains... at 90%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1z9hRCSB PDB    PDBbindIMN
3adsRCSB PDB    PDBbindIMN
3h1xRCSB PDB    PDBbindIMN
4xumRCSB PDB    PDBbindIMN

Entry Information
PDB ID4kyk
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameLactoylglutathione lyase
Ligand NameIMN
EC.Number E.C.4.4.1.5
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=18uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Chemmedchem
Ligand Properties
Formula C19H16ClNO4
Molecular Weight 357.788
Exact Mass 357.077
No. of atoms 41
No. of bonds 43
Polar Surface Area 68.53
LOGP Value 5.45      (Computed with XLOGP3)
3.93      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
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): Q9CPU0  
Entrez Gene IDNCBI Entrez Gene ID: 109801  
ASDInformation of known allosteric effects of PDB entries

 
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