Browse entries in the PDBbind-CN Database

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Related entries of code: 2jk7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1g3fRCSB PDB    PDBbind117aa, >1G3F_1|Chain... at 99%
1nw9RCSB PDB    PDBbind98aa, >1NW9_1|Chain... at 100%
1tfqRCSB PDB    PDBbind117aa, >1TFQ_1|Chain... at 99%
1tftRCSB PDB    PDBbind117aa, >1TFT_1|Chain... at 99%
2opyRCSB PDB    PDBbind106aa, >2OPY_1|Chain... at 100%
2vslRCSB PDB    PDBbind96aa, >2VSL_1|Chain... at 100%
3cm2RCSB PDB    PDBbind130aa, >3CM2_1|Chains... *
3cm7RCSB PDB    PDBbind130aa, >3CM7_1|Chains... at 100%
3eylRCSB PDB    PDBbind122aa, >3EYL_1|Chains... at 95%
3g76RCSB PDB    PDBbind122aa, >3G76_1|Chains... at 95%
3hl5RCSB PDB    PDBbind95aa, >3HL5_1|Chains... at 95%
4ec4RCSB PDB    PDBbind122aa, >4EC4_1|Chains... at 95%
4hy0RCSB PDB    PDBbind125aa, >4HY0_1|Chains... at 93%
5c0kRCSB PDB    PDBbind110aa, >5C0K_1|Chain... at 97%
5c3kRCSB PDB    PDBbind110aa, >5C3K_1|Chain... at 97%
5c7aRCSB PDB    PDBbind110aa, >5C7A_1|Chain... at 97%
5c7bRCSB PDB    PDBbind110aa, >5C7B_1|Chain... at 97%
5c7cRCSB PDB    PDBbind110aa, >5C7C_1|Chain... at 97%
5c7dRCSB PDB    PDBbind110aa, >5C7D_1|Chain... at 97%
5c83RCSB PDB    PDBbind110aa, >5C83_1|Chain... at 97%
5c84RCSB PDB    PDBbind110aa, >5C84_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID2jk7
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameThe third BIR domain of X-linked inhibitor of apoptosis protein(XIAP BIR3)
Ligand NameBI6
EC.Number E.C.-.-.-.-
Resolution 2.82(Å)
Affinity (Kd/Ki/IC50)Ki=67nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) J.Med.Chem. Vol. 51: pp. 7169-7180
Ligand Properties
Formula C29H42N4O3
Molecular Weight 494.669
Exact Mass 494.326
No. of atoms 78
No. of bonds 81
Polar Surface Area 102.86
LOGP Value 3.70      (Computed with XLOGP3)
1.38      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
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): P98170  
Entrez Gene IDNCBI Entrez Gene ID: 331  
ASDInformation of known allosteric effects of PDB entries
 
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