Browse entries in the PDBbind-CN Database

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Related entries of code: 6mhb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4yqmRCSB PDB    PDBbind244aa, >4YQM_1|Chains... *
4yquRCSB PDB    PDBbind244aa, >4YQU_1|Chains... at 100%
4yqvRCSB PDB    PDBbind244aa, >4YQV_1|Chains... at 100%
6pnnRCSB PDB    PDBbind240aa, >6PNN_1|Chain... at 100%
6pnmRCSB PDB    PDBbind240aa, >6PNM_1|Chain... at 100%
6mhdRCSB PDB    PDBbind244aa, >6MHD_1|Chains... at 100%
6mhcRCSB PDB    PDBbind244aa, >6MHC_1|Chains... at 100%
6pnoRCSB PDB    PDBbind240aa, >6PNO_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6mhdRCSB PDB    PDBbindJR7
Entry Information
PDB ID6mhb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameGSTO1
Ligand NameJR7
EC.Number E.C.-.-.-.-
Resolution 2.75(Å)
Affinity (Kd/Ki/IC50)IC50=0.17uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J. Med. Chem. Vol. 62: pp. 3068-3087
Ligand Properties
Formula C12H11ClN2OS
Molecular Weight 266.747
Exact Mass 266.028
No. of atoms 28
No. of bonds 29
Polar Surface Area 70.23
LOGP Value 3.22      (Computed with XLOGP3)
3.89      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
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): P78417  
Entrez Gene IDNCBI Entrez Gene ID: 9446  
ASDInformation of known allosteric effects of PDB entries
 
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