Browse entries in the PDBbind-CN Database

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Related entries of code: 5a8x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1b0fRCSB PDB    PDBbind218aa, >1B0F_1|Chain... *
1h1bRCSB PDB    PDBbind218aa, >1H1B_1|Chains... at 99%
3q77RCSB PDB    PDBbind218aa, >3Q77_1|Chain... at 99%
5a09RCSB PDB    PDBbind218aa, >5A09_1|Chain... at 99%
5a0aRCSB PDB    PDBbind218aa, >5A0A_1|Chain... at 99%
5a0bRCSB PDB    PDBbind218aa, >5A0B_1|Chain... at 99%
5a0cRCSB PDB    PDBbind218aa, >5A0C_1|Chains... at 99%
5a8yRCSB PDB    PDBbind218aa, >5A8Y_1|Chain... at 99%
5a8zRCSB PDB    PDBbind218aa, >5A8Z_1|Chain... at 99%
5abwRCSB PDB    PDBbind218aa, >5ABW_1|Chain... at 99%
6f5mRCSB PDB    PDBbind218aa, >6F5M_1|Chains... 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 ID5a8x
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman neutrophil elastase
Ligand NameIUY
EC.Number E.C.3.4.21.37
Resolution 2.23(Å)
Affinity (Kd/Ki/IC50)IC50=6.5nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Chemmedchem Vol. 11: pp. 199-206
Ligand Properties
Formula C24H19F3N4O2
Molecular Weight 452.428
Exact Mass 452.146
No. of atoms 52
No. of bonds 55
Polar Surface Area 71.15
LOGP Value 4.74      (Computed with XLOGP3)
5.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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): P08246  
Entrez Gene IDNCBI Entrez Gene ID: 1991  
ASDInformation of known allosteric effects of PDB entries
 
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