Browse entries in the PDBbind-CN Database

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Related entries of code: 6qgh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6qgkRCSB PDB    PDBbind177aa, >6QGK_1|Chain... at 98%
6qgjRCSB PDB    PDBbind177aa, >6QGJ_1|Chain... at 100%
6qggRCSB PDB    PDBbind177aa, >6QGG_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4lvtRCSB PDB    PDBbind1XJ
Entry Information
PDB ID6qgh
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman Bcl-2
Ligand Name1XJ
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=0.007uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Acs Omega Vol. 4: pp. 8892-8906
Ligand Properties
Formula C47H57ClF3N5O6S3
Molecular Weight 976.629
Exact Mass 975.311
No. of atoms 122
No. of bonds 128
Polar Surface Area 172.82
LOGP Value 9.58      (Computed with XLOGP3)
11.83      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 11
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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