Browse entries in the PDBbind-CN Database

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Related entries of code: 6fs1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3wixRCSB PDB    PDBbind161aa, >3WIX_1|Chains... at 90%
3wiyRCSB PDB    PDBbind161aa, >3WIY_1|Chains... at 90%
4hw2RCSB PDB    PDBbind153aa, >4HW2_1|Chains... at 96%
4hw3RCSB PDB    PDBbind153aa, >4HW3_1|Chains... at 96%
4oq6RCSB PDB    PDBbind157aa, >4OQ6_1|Chains... at 92%
4wgiRCSB PDB    PDBbind518aa, >4WGI_1|Chain... *
4wmuRCSB PDB    PDBbind518aa, >4WMU_1|Chain... at 100%
4wmvRCSB PDB    PDBbind518aa, >4WMV_1|Chain... at 100%
4wmxRCSB PDB    PDBbind518aa, >4WMX_1|Chain... at 100%
4zbfRCSB PDB    PDBbind157aa, >4ZBF_1|Chains... at 93%
4zbiRCSB PDB    PDBbind157aa, >4ZBI_1|Chains... at 93%
5fdoRCSB PDB    PDBbind150aa, >5FDO_1|Chains... at 97%
5fdrRCSB PDB    PDBbind158aa, >5FDR_1|Chains... at 92%
5iezRCSB PDB    PDBbind159aa, >5IEZ_1|Chains... at 91%
5if4RCSB PDB    PDBbind159aa, >5IF4_1|Chains... at 91%
5vkcRCSB PDB    PDBbind157aa, >5VKC_1|Chains... at 92%
6b4lRCSB PDB    PDBbind157aa, >6B4L_1|Chains... at 92%
6b4uRCSB PDB    PDBbind157aa, >6B4U_1|Chain... at 92%
6bw2RCSB PDB    PDBbind158aa, >6BW2_1|Chains... at 92%
6bw8RCSB PDB    PDBbind158aa, >6BW8_1|Chains... at 92%
6dm8RCSB PDB    PDBbind518aa, >6DM8_1|Chains... at 96%
6qz7RCSB PDB    PDBbind518aa, >6QZ7_1|Chain... at 99%
6qyoRCSB PDB    PDBbind518aa, >6QYO_1|Chain... at 99%
6qynRCSB PDB    PDBbind518aa, >6QYN_1|Chain... at 99%
6qylRCSB PDB    PDBbind518aa, >6QYL_1|Chain... at 99%
6qykRCSB PDB    PDBbind518aa, >6QYK_1|Chain... at 99%
6qxjRCSB PDB    PDBbind518aa, >6QXJ_1|Chain... at 99%
6p3pRCSB PDB    PDBbind157aa, >6P3P_1|Chain... at 92%
6oqnRCSB PDB    PDBbind157aa, >6OQN_1|Chains... at 92%
6oqdRCSB PDB    PDBbind157aa, >6OQD_1|Chain... at 92%
6oqcRCSB PDB    PDBbind157aa, >6OQC_1|Chains... at 92%
6oqbRCSB PDB    PDBbind157aa, >6OQB_1|Chain... at 92%
6o6gRCSB PDB    PDBbind156aa, >6O6G_1|Chain... at 93%
6o6fRCSB PDB    PDBbind158aa, >6O6F_1|Chains... at 92%
6ne5RCSB PDB    PDBbind159aa, >6NE5_1|Chains... at 91%
6ud2RCSB PDB    PDBbind157aa, >6UD2_1|Chain... at 92%
6udiRCSB PDB    PDBbind157aa, >6UDI_1|Chain... at 92%
6udtRCSB PDB    PDBbind157aa, >6UDT_1|Chain... at 92%
6uduRCSB PDB    PDBbind157aa, >6UDU_1|Chain... at 92%
6udvRCSB PDB    PDBbind157aa, >6UDV_1|Chain... at 92%
6udxRCSB PDB    PDBbind157aa, >6UDX_1|Chains... at 92%
6udyRCSB PDB    PDBbind157aa, >6UDY_1|Chains... at 92%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6fs1
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMcl-1
Ligand NameE4Q
EC.Number E.C.-.-.-.-
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Kd=0.098uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Nat Commun Vol. 9: pp. 5341-5341
Ligand Properties
Formula C34H35N5O3S
Molecular Weight 593.738
Exact Mass 593.246
No. of atoms 78
No. of bonds 83
Polar Surface Area 123.26
LOGP Value 7.29      (Computed with XLOGP3)
7.22      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 6
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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