Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 3kjf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1gfwRCSB PDB    PDBbind97aa, >1GFW_2|Chain... at 98%
1nmsRCSB PDB    PDBbind249aa, >1NMS_1|Chains... at 99%
1pauRCSB PDB    PDBbind102aa, >1PAU_2|Chain... at 100%
1re1RCSB PDB    PDBbind147aa, >1RE1_1|Chain... at 100%
1rhjRCSB PDB    PDBbind110aa, >1RHJ_2|Chains... at 98%
1rhkRCSB PDB    PDBbind147aa, >1RHK_1|Chain... at 100%
1rhmRCSB PDB    PDBbind102aa, >1RHM_2|Chains... at 100%
1rhqRCSB PDB    PDBbind102aa, >1RHQ_2|Chains... at 100%
1rhrRCSB PDB    PDBbind102aa, >1RHR_2|Chain... at 100%
1rhuRCSB PDB    PDBbind102aa, >1RHU_2|Chain... at 100%
2h5iRCSB PDB    PDBbind146aa, >2H5I_1|Chain... at 100%
2h5jRCSB PDB    PDBbind146aa, >2H5J_1|Chains... at 100%
2h65RCSB PDB    PDBbind95aa, >2H65_2|Chains... at 98%
3dehRCSB PDB    PDBbind249aa, >3DEH_1|Chains... at 99%
3deiRCSB PDB    PDBbind249aa, >3DEI_1|Chains... at 99%
3dejRCSB PDB    PDBbind249aa, >3DEJ_1|Chains... at 99%
3dekRCSB PDB    PDBbind249aa, >3DEK_1|Chains... at 99%
3gjqRCSB PDB    PDBbind108aa, >3GJQ_2|Chains... at 100%
3gjsRCSB PDB    PDBbind108aa, >3GJS_2|Chains... at 100%
3gjtRCSB PDB    PDBbind108aa, >3GJT_2|Chains... at 100%
3h0eRCSB PDB    PDBbind255aa, >3H0E_1|Chains... at 100%
4jjeRCSB PDB    PDBbind257aa, >4JJE_1|Chain... at 100%
4jr0RCSB PDB    PDBbind247aa, >4JR0_1|Chains... at 98%
4pryRCSB PDB    PDBbind285aa, >4PRY_1|Chain... *
4ps0RCSB PDB    PDBbind285aa, >4PS0_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 ID3kjf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCaspase-3
Ligand NameB92
EC.Number E.C.3.4.22.56
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=13.4uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Biochim.Biophys.Acta Vol. 1804: pp. 1817-1831
Ligand Properties
Formula C29H35N5O9
Molecular Weight 597.616
Exact Mass 597.243
No. of atoms 78
No. of bonds 81
Polar Surface Area 198.8
LOGP Value 3.15      (Computed with XLOGP3)
1.33      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 14
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): P42574  
Entrez Gene IDNCBI Entrez Gene ID: 836  
ASDInformation of known allosteric effects of PDB entries
 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com