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Related entries of code: 3so9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3spkRCSB PDB    PDBbind99aa, >3SPK_1|Chains... at 100%
4gyeRCSB PDB    PDBbind99aa, >4GYE_1|Chains... at 100%
4gzfRCSB PDB    PDBbind99aa, >4GZF_1|Chains... at 100%
4l1aRCSB PDB    PDBbind99aa, >4L1A_2|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2f80RCSB PDB    PDBbind017
2f81RCSB PDB    PDBbind017
2f8gRCSB PDB    PDBbind017
2hs1RCSB PDB    PDBbind017
2hs2RCSB PDB    PDBbind017
2idwRCSB PDB    PDBbind017
2ienRCSB PDB    PDBbind017
2ieoRCSB PDB    PDBbind017
3bvbRCSB PDB    PDBbind017
3cywRCSB PDB    PDBbind017
3d1zRCSB PDB    PDBbind017
3d20RCSB PDB    PDBbind017
3ektRCSB PDB    PDBbind017
3gguRCSB PDB    PDBbind017
3lzsRCSB PDB    PDBbind017
3lzuRCSB PDB    PDBbind017
3lzvRCSB PDB    PDBbind017
3ogpRCSB PDB    PDBbind017
3pwmRCSB PDB    PDBbind017
3s53RCSB PDB    PDBbind017
3s54RCSB PDB    PDBbind017
3t3cRCSB PDB    PDBbind017
3tkwRCSB PDB    PDBbind017
3ttpRCSB PDB    PDBbind017
3u7sRCSB PDB    PDBbind017
4hlaRCSB PDB    PDBbind017
4ll3RCSB PDB    PDBbind017
4q1wRCSB PDB    PDBbind017
4q1xRCSB PDB    PDBbind017
4q1yRCSB PDB    PDBbind017
5kqyRCSB PDB    PDBbind017
5kr1RCSB PDB    PDBbind017
6dgxRCSB PDB    PDBbind017
6dh0RCSB PDB    PDBbind017
6dh3RCSB PDB    PDBbind017
6dh6RCSB PDB    PDBbind017
6oouRCSB PDB    PDBbind017
6ootRCSB PDB    PDBbind017
6oosRCSB PDB    PDBbind017
Entry Information
PDB ID3so9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMDR HIV-1 protease variant, MDR 769 82T
Ligand Name017
EC.Number E.C.3.4.23.16
Resolution 2.87(Å)
Affinity (Kd/Ki/IC50)IC50=2.76nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Biochem.Biophys.Res.Commun. Vol. 412: pp. 737-742
Ligand Properties
Formula C27H37N3O7S
Molecular Weight 547.664
Exact Mass 547.235
No. of atoms 75
No. of bonds 78
Polar Surface Area 148.8
LOGP Value 2.94      (Computed with XLOGP3)
4.43      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
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): Q000H7  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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