Browse entries in the PDBbind-CN Database

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Related entries of code: 4b76
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2k1qRCSB PDB    PDBbind186aa, >2K1Q_1|Chain... at 95%
4b6eRCSB PDB    PDBbind683aa, >4B6E_1|Chains... *
4b6fRCSB PDB    PDBbind683aa, >4B6F_1|Chains... at 100%
4b71RCSB PDB    PDBbind666aa, >4B71_1|Chains... at 100%
4b73RCSB PDB    PDBbind666aa, >4B73_1|Chains... at 100%
4b74RCSB PDB    PDBbind666aa, >4B74_1|Chains... at 100%
4ojqRCSB PDB    PDBbind464aa, >4OJQ_1|Chains... at 91%
4ok3RCSB PDB    PDBbind464aa, >4OK3_1|Chains... at 91%
4ok5RCSB PDB    PDBbind464aa, >4OK5_1|Chains... at 91%
4ok6RCSB PDB    PDBbind464aa, >4OK6_1|Chains... at 91%
4oksRCSB PDB    PDBbind464aa, >4OKS_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4b76
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameNON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3
Ligand NamePW1
EC.Number E.C.3.4.21.98; E.C.3.6.1.15; E.C.3.6.4.13
Resolution 2.14(Å)
Affinity (Kd/Ki/IC50)Kd=29uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Nat.Chem.Biol. Vol. 8: pp. 920
Ligand Properties
Formula C13H12F2NO
Molecular Weight 236.237
Exact Mass 236.089
No. of atoms 29
No. of bonds 30
Polar Surface Area 36.87
LOGP Value 2.51      (Computed with XLOGP3)
2.50      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 2
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): P26663  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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