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Related entries of code: 3su6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3su0RCSB PDB    PDBbind198aa, >3su0_A... at 96%
3su1RCSB PDB    PDBbind203aa, >3su1_A... at 95%
3su2RCSB PDB    PDBbind203aa, >3su2_A... at 95%
3su3RCSB PDB    PDBbind203aa, >3su3_A... at 96%
3su4RCSB PDB    PDBbind203aa, >3su4_B... at 95%
3su5RCSB PDB    PDBbind203aa, >3su5_A... at 95%
3sudRCSB PDB    PDBbind203aa, >3sud_D... at 96%
3sueRCSB PDB    PDBbind203aa, >3sue_D... at 96%
3sufRCSB PDB    PDBbind203aa, >3suf_D... at 96%
3sugRCSB PDB    PDBbind203aa, >3sug_A... at 95%
3sv6RCSB PDB    PDBbind203aa, >3sv6_A... at 96%
3sv7RCSB PDB    PDBbind203aa, >3sv7_A... at 96%
3sv8RCSB PDB    PDBbind203aa, >3sv8_A... at 96%
3sv9RCSB PDB    PDBbind203aa, >3sv9_A... at 96%
4nwkRCSB PDB    PDBbind219aa, >4nwk_A... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3su3RCSB PDB    PDBbindSU3
3su4RCSB PDB    PDBbindSU3
3su5RCSB PDB    PDBbindSU3

Entry Information
PDB ID3su6
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameNS3 protease, NS4A protein(A156T)
Ligand NameSU3
EC.Number E.C.-.-.-.-
Resolution 1.1(Å)
Affinity (Kd/Ki/IC50)Ki=958nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference(2012) Plos Pathog. Vol. 8: pp. e1002832-e1002832
Ligand Properties
Formula C38H55N5O9S
Molecular Weight 757.936
Exact Mass 757.372
No. of atoms 108
No. of bonds 113
Polar Surface Area 188.9
LOGP Value 5.05      (Computed with XLOGP3)
5.96      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 6
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): A8DG50  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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