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Related entries of code: 3r0y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2fddRCSB PDB    PDBbind100aa, >2FDD_1|Chains... *
3r0wRCSB PDB    PDBbind99aa, >3R0W_1|Chains... at 90%
4eyrRCSB PDB    PDBbind99aa, >4EYR_1|Chains... at 90%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3r0y
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMultidrug-resistant clinical isolate 769 HIV-1 Protease
Ligand NameRSZ
EC.Number E.C.-.-.-.-
Resolution 1.65(Å)
Affinity (Kd/Ki/IC50)Kd=14.53uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Biochem.Biophys.Res.Commun. Vol. 421: pp. 413-417
Ligand Properties
Formula C34H43N5O5
Molecular Weight 601.736
Exact Mass 601.326
No. of atoms 87
No. of bonds 89
Polar Surface Area 149.52
LOGP Value 4.06      (Computed with XLOGP3)
4.13      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 10
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): Q000H7  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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