Browse entries in the PDBbind-CN Database

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Related entries of code: 3n3g
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ms6RCSB PDB    PDBbind222aa, >1MS6_1|Chain... at 99%
1npzRCSB PDB    PDBbind217aa, >1NPZ_1|Chains... at 99%
1nqcRCSB PDB    PDBbind217aa, >1NQC_1|Chain... at 99%
2f1gRCSB PDB    PDBbind220aa, >2F1G_1|Chains... at 100%
2hh5RCSB PDB    PDBbind220aa, >2HH5_1|Chains... at 100%
2hhnRCSB PDB    PDBbind220aa, >2HHN_1|Chains... at 100%
2op3RCSB PDB    PDBbind220aa, >2OP3_1|Chains... at 100%
2r9mRCSB PDB    PDBbind222aa, >2R9M_1|Chains... at 99%
3iejRCSB PDB    PDBbind222aa, >3IEJ_1|Chains... at 97%
3n4cRCSB PDB    PDBbind217aa, >3N4C_1|Chains... at 100%
3ovxRCSB PDB    PDBbind218aa, >3OVX_1|Chains... at 100%
4p6eRCSB PDB    PDBbind230aa, >4P6E_1|Chains... *
4p6gRCSB PDB    PDBbind226aa, >4P6G_1|Chains... at 99%
5qbvRCSB PDB    PDBbind223aa, >5QBV_1|Chains... at 97%
5qbyRCSB PDB    PDBbind223aa, >5QBY_1|Chains... at 97%
5qc4RCSB PDB    PDBbind223aa, >5QC4_1|Chains... 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 ID3n3g
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCathepsin S
Ligand Name93N
EC.Number E.C.3.4.22.27
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Ki=58nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Bioorg.Med.Chem.Lett. Vol. 20: pp. 4507-4510
Ligand Properties
Formula C21H25F3N4O
Molecular Weight 406.445
Exact Mass 406.198
No. of atoms 54
No. of bonds 56
Polar Surface Area 54.79
LOGP Value 3.63      (Computed with XLOGP3)
3.96      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
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): P25774  
Entrez Gene IDNCBI Entrez Gene ID: 1520  
ASDInformation of known allosteric effects of PDB entries
 
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