Browse entries in the PDBbind-CN Database

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Related entries of code: 1eas
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1bmaRCSB PDB    PDBbind240aa, >1BMA_1|Chain... *
1e34RCSB PDB    PDBbind240aa, >1E34_1|Chain... at 100%
1e37RCSB PDB    PDBbind240aa, >1E37_1|Chain... at 100%
1eatRCSB PDB    PDBbind240aa, >1EAT_1|Chain... at 100%
1elaRCSB PDB    PDBbind240aa, >1ELA_1|Chain... at 100%
1elbRCSB PDB    PDBbind240aa, >1ELB_1|Chain... at 100%
1elcRCSB PDB    PDBbind240aa, >1ELC_1|Chain... at 100%
1eldRCSB PDB    PDBbind240aa, >1ELD_1|Chain... at 100%
1eleRCSB PDB    PDBbind240aa, >1ELE_1|Chain... at 100%
1gvkRCSB PDB    PDBbind240aa, >1GVK_2|Chain... at 100%
1h9lRCSB PDB    PDBbind240aa, >1H9L_2|Chain... at 100%
1incRCSB PDB    PDBbind240aa, >1INC_1|Chain... at 100%
1okxRCSB PDB    PDBbind240aa, >1OKX_1|Chains... at 100%
1qr3RCSB PDB    PDBbind240aa, >1QR3_1|Chain... at 100%
4estRCSB PDB    PDBbind240aa, >4EST_1|Chain... at 100%
4gvuRCSB PDB    PDBbind240aa, >4GVU_1|Chain... at 100%
5estRCSB PDB    PDBbind240aa, >5EST_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1eas
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameelastase
Ligand NameTFK
EC.Number E.C.3.4.21.36
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=18nM
Release Year1995
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem. v37 pp. 3313-26, 1994
Ligand Properties
Formula C20H25F3N4O5S
Molecular Weight 490.497
Exact Mass 490.150
No. of atoms 58
No. of bonds 59
Polar Surface Area 137.91
LOGP Value 2.17      (Computed with XLOGP3)
3.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 2
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): P00772  
Entrez Gene IDNCBI Entrez Gene ID: 396766  
ASDInformation of known allosteric effects of PDB entries

 
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