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Related entries of code: 1b0f
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1h1bRCSB PDB    PDBbind218aa, >1H1B:B|PDBID|CHAIN|... at 99%
3q77RCSB PDB    PDBbind218aa, >3Q77:A|PDBID|CHAIN|... at 99%
5a09RCSB PDB    PDBbind218aa, >5A09:A|PDBID|CHAIN|... at 99%
5a0aRCSB PDB    PDBbind218aa, >5A0A:E|PDBID|CHAIN|... at 99%
5a0bRCSB PDB    PDBbind218aa, >5A0B:A|PDBID|CHAIN|... at 99%
5a0cRCSB PDB    PDBbind218aa, >5A0C:B|PDBID|CHAIN|... at 99%
5a8xRCSB PDB    PDBbind218aa, >5A8X:A|PDBID|CHAIN|... at 99%
5a8yRCSB PDB    PDBbind218aa, >5A8Y:A|PDBID|CHAIN|... at 99%
5a8zRCSB PDB    PDBbind218aa, >5A8Z:A|PDBID|CHAIN|... at 99%
5abwRCSB PDB    PDBbind218aa, >5ABW:A|PDBID|CHAIN|... at 99%
6f5mRCSB PDB    PDBbind218aa, >6F5M:B|PDBID|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 ID1b0f
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameelastase
Ligand NameSEI
EC.Number E.C.3.4.21.37
Resolution 3(Å)
Affinity (Kd/Ki/IC50)Ki=20nM
Release Year1998
Protein/NA SequenceCheck fasta file
Primary ReferenceJ.Med.Chem. v41 pp. 2461-80, 1998
Ligand Properties
Formula C29H39F5N4O6
Molecular Weight 634.635
Exact Mass 634.279
No. of atoms 83
No. of bonds 85
Polar Surface Area 128.28
LOGP Value 3.61      (Computed with XLOGP3)
3.26      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 10
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): P08246  
Entrez Gene IDNCBI Entrez Gene ID: 1991  
ASDInformation of known allosteric effects of PDB entries

 
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