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Related entries of code: 6n94
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6n97RCSB PDB    PDBbind261aa, >6N97_1|Chains... at 100%
6n96RCSB PDB    PDBbind261aa, >6N96_1|Chains... at 100%
6n95RCSB PDB    PDBbind261aa, >6N95_1|Chains... at 100%
6n93RCSB PDB    PDBbind261aa, >6N93_1|Chains... at 100%
6n92RCSB PDB    PDBbind261aa, >6N92_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6n94
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMethylmalonyl-CoA decarboxylase
Ligand NameKGJ
EC.Number E.C.-.-.-.-
Resolution 1.75(Å)
Affinity (Kd/Ki/IC50)Ki=19.8uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J. Am. Chem. Soc. Vol. 141: pp. 5121-5124
Ligand Properties
Formula C24H43N9O19P3
Molecular Weight 854.568
Exact Mass 854.189
No. of atoms 98
No. of bonds 100
Polar Surface Area 471.73
LOGP Value -6.68      (Computed with XLOGP3)
-1.85      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 24
No. of Nitrogen and Oxygen Atoms: 28
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): P52045  
Entrez Gene IDNCBI Entrez Gene ID: 61755028  947408  
ASDInformation of known allosteric effects of PDB entries

 
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