Browse entries in the PDBbind-CN Database

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Related entries of code: 4jr0
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%
3kjfRCSB PDB    PDBbind109aa, >3KJF_2|Chain... at 97%
4jjeRCSB PDB    PDBbind257aa, >4JJE_1|Chain... at 100%
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
1a7cRCSB PDB    PDBbind6-mer
1elrRCSB PDB    PDBbind6-mer
1guiRCSB PDB    PDBbind6-mer
1gvxRCSB PDB    PDBbind6-mer
1gwmRCSB PDB    PDBbind6-mer
1k9rRCSB PDB    PDBbind6-mer
1lybRCSB PDB    PDBbind6-mer
1njtRCSB PDB    PDBbind6-mer
1okvRCSB PDB    PDBbind6-mer
1ol1RCSB PDB    PDBbind6-mer
1ol2RCSB PDB    PDBbind6-mer
1q4kRCSB PDB    PDBbind6-mer
1rhkRCSB PDB    PDBbind6-mer
1sldRCSB PDB    PDBbind6-mer
1smeRCSB PDB    PDBbind6-mer
1strRCSB PDB    PDBbind6-mer
1urcRCSB PDB    PDBbind6-mer
1xt3RCSB PDB    PDBbind6-mer
1ym2RCSB PDB    PDBbind6-mer
1zfpRCSB PDB    PDBbind6-mer
2h65RCSB PDB    PDBbind6-mer
2h6tRCSB PDB    PDBbind6-mer
2hobRCSB PDB    PDBbind6-mer
2itkRCSB PDB    PDBbind6-mer
2l65RCSB PDB    PDBbind6-mer
2oqsRCSB PDB    PDBbind6-mer
2q6fRCSB PDB    PDBbind6-mer
2qzxRCSB PDB    PDBbind6-mer
2r0zRCSB PDB    PDBbind6-mer
2w76RCSB PDB    PDBbind6-mer
2x6xRCSB PDB    PDBbind6-mer
3avzRCSB PDB    PDBbind6-mer
3aw0RCSB PDB    PDBbind6-mer
3bv9RCSB PDB    PDBbind6-mer
3driRCSB PDB    PDBbind6-mer
3eysRCSB PDB    PDBbind6-mer
3fv3RCSB PDB    PDBbind6-mer
3fwvRCSB PDB    PDBbind6-mer
3h6zRCSB PDB    PDBbind6-mer
3hikRCSB PDB    PDBbind6-mer
3iquRCSB PDB    PDBbind6-mer
3iqvRCSB PDB    PDBbind6-mer
3kd7RCSB PDB    PDBbind6-mer
3luoRCSB PDB    PDBbind6-mer
3nthRCSB PDB    PDBbind6-mer
3oldRCSB PDB    PDBbind6-mer
3pslRCSB PDB    PDBbind6-mer
3q4jRCSB PDB    PDBbind6-mer
3q4kRCSB PDB    PDBbind6-mer
3q4lRCSB PDB    PDBbind6-mer
3r5jRCSB PDB    PDBbind6-mer
3r6gRCSB PDB    PDBbind6-mer
3rjmRCSB PDB    PDBbind6-mer
3sm1RCSB PDB    PDBbind6-mer
3snaRCSB PDB    PDBbind6-mer
3snbRCSB PDB    PDBbind6-mer
3sncRCSB PDB    PDBbind6-mer
3sndRCSB PDB    PDBbind6-mer
3u51RCSB PDB    PDBbind6-mer
3ux0RCSB PDB    PDBbind6-mer
3wqwRCSB PDB    PDBbind6-mer
3zmtRCSB PDB    PDBbind6-mer
3zmuRCSB PDB    PDBbind6-mer
3zmvRCSB PDB    PDBbind6-mer
3zmzRCSB PDB    PDBbind6-mer
3zn0RCSB PDB    PDBbind6-mer
3zn1RCSB PDB    PDBbind6-mer
4a0jRCSB PDB    PDBbind6-mer
4apoRCSB PDB    PDBbind6-mer
4b3bRCSB PDB    PDBbind6-mer
4b4qRCSB PDB    PDBbind6-mer
4b8yRCSB PDB    PDBbind6-mer
4c4nRCSB PDB    PDBbind6-mer
4dgbRCSB PDB    PDBbind6-mer
4er2RCSB PDB    PDBbind6-mer
4exhRCSB PDB    PDBbind6-mer
4fr3RCSB PDB    PDBbind6-mer
4fysRCSB PDB    PDBbind6-mer
4fz3RCSB PDB    PDBbind6-mer
4gyeRCSB PDB    PDBbind6-mer
4gzfRCSB PDB    PDBbind6-mer
4ifiRCSB PDB    PDBbind6-mer
4iknRCSB PDB    PDBbind6-mer
4j09RCSB PDB    PDBbind6-mer
4j77RCSB PDB    PDBbind6-mer
4j79RCSB PDB    PDBbind6-mer
4j86RCSB PDB    PDBbind6-mer
4j8bRCSB PDB    PDBbind6-mer
4jj7RCSB PDB    PDBbind6-mer
4jj8RCSB PDB    PDBbind6-mer
4jjeRCSB PDB    PDBbind6-mer
4k3oRCSB PDB    PDBbind6-mer
4k3pRCSB PDB    PDBbind6-mer
4k3qRCSB PDB    PDBbind6-mer
4k3rRCSB PDB    PDBbind6-mer
4ny3RCSB PDB    PDBbind6-mer
4o9wRCSB PDB    PDBbind6-mer
4ou3RCSB PDB    PDBbind6-mer
4tszRCSB PDB    PDBbind6-mer
4tt2RCSB PDB    PDBbind6-mer
4wk2RCSB PDB    PDBbind6-mer
4wvtRCSB PDB    PDBbind6-mer
4x9rRCSB PDB    PDBbind6-mer
4x9vRCSB PDB    PDBbind6-mer
4ynlRCSB PDB    PDBbind6-mer
5a2iRCSB PDB    PDBbind6-mer
5a2jRCSB PDB    PDBbind6-mer
5a2kRCSB PDB    PDBbind6-mer
5e1bRCSB PDB    PDBbind6-mer
5e1dRCSB PDB    PDBbind6-mer
5e1mRCSB PDB    PDBbind6-mer
5e1oRCSB PDB    PDBbind6-mer
5epkRCSB PDB    PDBbind6-mer
5eplRCSB PDB    PDBbind6-mer
5eq0RCSB PDB    PDBbind6-mer
5fotRCSB PDB    PDBbind6-mer
5fouRCSB PDB    PDBbind6-mer
5fovRCSB PDB    PDBbind6-mer
5fowRCSB PDB    PDBbind6-mer
5foxRCSB PDB    PDBbind6-mer
5fpkRCSB PDB    PDBbind6-mer
5gwzRCSB PDB    PDBbind6-mer
5hvpRCSB PDB    PDBbind6-mer
5izfRCSB PDB    PDBbind6-mer
5l7kRCSB PDB    PDBbind6-mer
5lrgRCSB PDB    PDBbind6-mer
5lrjRCSB PDB    PDBbind6-mer
5lrkRCSB PDB    PDBbind6-mer
5lsoRCSB PDB    PDBbind6-mer
5tpcRCSB PDB    PDBbind6-mer
5w94RCSB PDB    PDBbind6-mer
5y24RCSB PDB    PDBbind6-mer
6aprRCSB PDB    PDBbind6-mer
6aszRCSB PDB    PDBbind6-mer
6at0RCSB PDB    PDBbind6-mer
6cdgRCSB PDB    PDBbind6-mer
6cgtRCSB PDB    PDBbind6-mer
6do4RCSB PDB    PDBbind6-mer
6do5RCSB PDB    PDBbind6-mer
6dubRCSB PDB    PDBbind6-mer
6eqxRCSB PDB    PDBbind6-mer
7hvpRCSB PDB    PDBbind6-mer
6rheRCSB PDB    PDBbind6-mer
6nsxRCSB PDB    PDBbind6-mer
6nsvRCSB PDB    PDBbind6-mer
6jijRCSB PDB    PDBbind6-mer
6im4RCSB PDB    PDBbind6-mer
6hzdRCSB PDB    PDBbind6-mer
6hzcRCSB PDB    PDBbind6-mer
6hp5RCSB PDB    PDBbind6-mer
6hmyRCSB PDB    PDBbind6-mer
6hleRCSB PDB    PDBbind6-mer
6fvoRCSB PDB    PDBbind6-mer
6fvnRCSB PDB    PDBbind6-mer
6fvmRCSB PDB    PDBbind6-mer
6fvlRCSB PDB    PDBbind6-mer
6efkRCSB PDB    PDBbind6-mer
6a30RCSB PDB    PDBbind6-mer
5zw6RCSB PDB    PDBbind6-mer
5zvwRCSB PDB    PDBbind6-mer
Entry Information
PDB ID4jr0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProcaspase-3 (D175A mutation)
Ligand Name6-mer
EC.Number E.C.3.4.22.56
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Kd=6.3nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Proc.Natl.Acad.Sci.USA Vol. 110: pp. 8477-8482
Ligand Properties
Formula C21H34N4O11
Molecular Weight 518.515
Exact Mass 518.222
No. of atoms 70
No. of bonds 69
Polar Surface Area 248.53
LOGP Value 2.00      (Computed with XLOGP3)
-0.64      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 18
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 0
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
 
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