Browse entries in the PDBbind-CN Database

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Related entries of code: 3of8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1mhwRCSB PDB    PDBbind42aa, >1MHW_2|Chains... at 100%
2xu1RCSB PDB    PDBbind220aa, >2XU1_1|Chains... at 100%
2xu3RCSB PDB    PDBbind220aa, >2XU3_1|Chain... at 99%
2xu4RCSB PDB    PDBbind220aa, >2XU4_1|Chain... at 99%
2xu5RCSB PDB    PDBbind220aa, >2XU5_1|Chain... at 99%
2yj2RCSB PDB    PDBbind220aa, >2YJ2_1|Chain... at 99%
2yj8RCSB PDB    PDBbind220aa, >2YJ8_1|Chain... at 99%
2yj9RCSB PDB    PDBbind220aa, >2YJ9_1|Chain... at 99%
2yjbRCSB PDB    PDBbind220aa, >2YJB_1|Chain... at 99%
2yjcRCSB PDB    PDBbind220aa, >2YJC_1|Chain... at 99%
3bc3RCSB PDB    PDBbind220aa, >3BC3_1|Chains... at 99%
3h89RCSB PDB    PDBbind220aa, >3H89_1|Chains... at 99%
3h8bRCSB PDB    PDBbind220aa, >3H8B_1|Chains... at 99%
3h8cRCSB PDB    PDBbind220aa, >3H8C_1|Chains... at 99%
3hhaRCSB PDB    PDBbind220aa, >3HHA_1|Chains... at 100%
3hwnRCSB PDB    PDBbind258aa, >3HWN_1|Chains... *
4axmRCSB PDB    PDBbind220aa, >4AXM_1|Chains... at 99%
5f02RCSB PDB    PDBbind220aa, >5F02_1|Chain... at 99%
5maeRCSB PDB    PDBbind220aa, >5MAE_1|Chain... at 99%
5majRCSB PDB    PDBbind220aa, >5MAJ_1|Chain... at 99%
5mqyRCSB PDB    PDBbind220aa, >5MQY_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3of8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCathepsin L1
Ligand NameI0Y
EC.Number E.C.3.4.22.15
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=0.6nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Struct.Biol. Vol. 173: pp. 14-19
Ligand Properties
Formula C31H36N2O6
Molecular Weight 532.627
Exact Mass 532.257
No. of atoms 75
No. of bonds 77
Polar Surface Area 113.96
LOGP Value 4.82      (Computed with XLOGP3)
4.77      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
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): P07711  
Entrez Gene IDNCBI Entrez Gene ID: 1514  
ASDInformation of known allosteric effects of PDB entries
 
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