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Related entries of code: 6s7s
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6s88RCSB PDB    PDBbind474aa, >6S88_1|Chains... at 99%
6s7zRCSB PDB    PDBbind474aa, >6S7Z_1|Chains... at 99%
6s7kRCSB PDB    PDBbind474aa, >6S7K_1|Chains... at 99%
6s43RCSB PDB    PDBbind474aa, >6S43_1|Chains... at 99%
5f91RCSB PDB    PDBbind495aa, >5F91_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 ID6s7s
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameFumarate hydratase class II of Mycobacterium tuberculosis
Ligand NameKZ8
EC.Number E.C.4.2.1.2
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)IC50=17uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 10586-10604
Ligand Properties
Formula C23H20N4O5S
Molecular Weight 464.494
Exact Mass 464.115
No. of atoms 53
No. of bonds 56
Polar Surface Area 138.63
LOGP Value 2.52      (Computed with XLOGP3)
4.14      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 9
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): P9WN93  
Entrez Gene IDNCBI Entrez Gene ID: 885651  
ASDInformation of known allosteric effects of PDB entries
 
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