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Related entries of code: 2fes
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1nzqRCSB PDB    PDBbind11aa, >1NZQ:D|PDBID|CHAIN|... *
1o0dRCSB PDB    PDBbind11aa, >1O0D:D|PDBID|CHAIN|... at 100%
2a2xRCSB PDB    PDBbind11aa, >2A2X:P|PDBID|CHAIN|... at 100%
2ankRCSB PDB    PDBbind11aa, >2ANK:P|PDBID|CHAIN|... at 100%
2feqRCSB PDB    PDBbind11aa, >2FEQ:D|PDBID|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 ID2fes
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namethrombin light chain
Ligand Name3SP
EC.Number E.C.
Resolution 2.42(Å)
Affinity (Kd/Ki/IC50)IC50=0.98nM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference Bioorg.Med.Chem.Lett. v16 pp. 2641-7, 2006
Ligand Properties
Formula C22H35N5O4S
Molecular Weight 465.609
Exact Mass 465.241
No. of atoms 67
No. of bonds 69
Polar Surface Area 183.17
LOGP Value 2.65      (Computed with XLOGP3)
-0.16      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 9
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): P00734  
Entrez Gene IDNCBI Entrez Gene ID: 2147  
ASDInformation of known allosteric effects of PDB entries

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