Browse entries in the PDBbind-CN Database

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Related entries of code: 2fs8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2fpzRCSB PDB    PDBbind245aa, >2FPZ_1|Chains... at 99%
2fs9RCSB PDB    PDBbind245aa, >2FS9_1|Chains... at 99%
2fxrRCSB PDB    PDBbind245aa, >2FXR_1|Chains... at 99%
2za5RCSB PDB    PDBbind245aa, >2ZA5_1|Chains... at 99%
3v7tRCSB PDB    PDBbind245aa, >3V7T_1|Chains... at 99%
4a6lRCSB PDB    PDBbind245aa, >4A6L_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2fxrRCSB PDB    PDBbindC3A

Entry Information
PDB ID2fs8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nametryptase beta-2
Ligand NameC3A
EC.Number E.C.3.4.21.59
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Ki=25nM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v45 pp. 5964-73, 2006
Ligand Properties
Formula C31H40N5O5
Molecular Weight 562.680
Exact Mass 562.303
No. of atoms 81
No. of bonds 85
Polar Surface Area 143.19
LOGP Value 3.97      (Computed with XLOGP3)
4.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
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): P20231  
Entrez Gene IDNCBI Entrez Gene ID: 64499  7177  
ASDInformation of known allosteric effects of PDB entries

 
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