Browse entries in the PDBbind-CN Database

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Related entries of code: 6fs0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4oq5RCSB PDB    PDBbind163aa, >4OQ5_1|Chains... at 93%
5ku9RCSB PDB    PDBbind162aa, >5KU9_1|Chains... at 90%
5mesRCSB PDB    PDBbind162aa, >5MES_1|Chain... at 90%
5mevRCSB PDB    PDBbind162aa, >5MEV_1|Chain... at 90%
6qzbRCSB PDB    PDBbind170aa, >6QZB_1|Chain... at 91%
6qz8RCSB PDB    PDBbind170aa, >6QZ8_1|Chain... at 91%
6qz6RCSB PDB    PDBbind170aa, >6QZ6_1|Chain... at 91%
6qz5RCSB PDB    PDBbind170aa, >6QZ5_1|Chain... at 91%
6qypRCSB PDB    PDBbind170aa, >6QYP_1|Chain... at 91%
6qfqRCSB PDB    PDBbind170aa, >6QFQ_1|Chain... at 91%
6qb6RCSB PDB    PDBbind162aa, >6QB6_1|Chain... at 90%
6qb3RCSB PDB    PDBbind162aa, >6QB3_1|Chain... at 90%
6ovcRCSB PDB    PDBbind164aa, >6OVC_1|Chain... at 94%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6fs0
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMcl-1
Ligand NameE4W
EC.Number E.C.-.-.-.-
Resolution 2.25(Å)
Affinity (Kd/Ki/IC50)Kd=0.00017uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Nat Commun Vol. 9: pp. 5341-5341
Ligand Properties
Formula C35H34ClN5O3S2
Molecular Weight 672.259
Exact Mass 671.179
No. of atoms 80
No. of bonds 86
Polar Surface Area 137.7
LOGP Value 7.59      (Computed with XLOGP3)
8.18      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 7
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): Q07820  
Entrez Gene IDNCBI Entrez Gene ID: 4170  
ASDInformation of known allosteric effects of PDB entries
 
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