Browse entries in the PDBbind-CN Database

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Related entries of code: 3qkd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ysgRCSB PDB    PDBbind181aa, >1YSG_1|Chain... at 97%
1ysiRCSB PDB    PDBbind181aa, >1YSI_1|Chain... at 97%
2yxjRCSB PDB    PDBbind181aa, >2YXJ_1|Chains... at 97%
3spfRCSB PDB    PDBbind172aa, >3SPF_1|Chain... at 98%
3wizRCSB PDB    PDBbind177aa, >3WIZ_1|Chains... at 100%
3zk6RCSB PDB    PDBbind181aa, >3ZK6_1|Chains... at 95%
3zlnRCSB PDB    PDBbind181aa, >3ZLN_1|Chain... at 97%
3zloRCSB PDB    PDBbind181aa, >3ZLO_1|Chain... at 97%
3zlrRCSB PDB    PDBbind158aa, >3ZLR_1|Chains... at 95%
4c52RCSB PDB    PDBbind158aa, >4C52_1|Chains... at 95%
4c5dRCSB PDB    PDBbind158aa, >4C5D_1|Chains... at 95%
4ehrRCSB PDB    PDBbind172aa, >4EHR_1|Chain... at 98%
4qvxRCSB PDB    PDBbind167aa, >4QVX_1|Chains... at 93%
4tuhRCSB PDB    PDBbind158aa, >4TUH_1|Chains... at 95%
6rnuRCSB PDB    PDBbind177aa, >6RNU_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3qkd
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBcl-2-like protein 1, Bcl-xL
Ligand NameHI0
EC.Number E.C.-.-.-.-
Resolution 2.02(Å)
Affinity (Kd/Ki/IC50)Kd=4.2nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Med.Chem. Vol. 54: pp. 1914-1926
Ligand Properties
Formula C43H47ClN8O4S2
Molecular Weight 839.467
Exact Mass 838.285
No. of atoms 105
No. of bonds 111
Polar Surface Area 175.6
LOGP Value 9.11      (Computed with XLOGP3)
9.06      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 12
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): Q07817  
Entrez Gene IDNCBI Entrez Gene ID: 598  
ASDInformation of known allosteric effects of PDB entries
 
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