Browse entries in the PDBbind-CN Database

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Related entries of code: 3r0w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2fddRCSB PDB    PDBbind100aa, >2FDD_1|Chains... *
3r0yRCSB PDB    PDBbind99aa, >3R0Y_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 ID3r0w
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMultidrug-resistant clinical isolate 769 HIV-1 Protease
Ligand NameRSY
EC.Number E.C.-.-.-.-
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)IC50=30.0uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Biochem.Biophys.Res.Commun. Vol. 421: pp. 413-417
Ligand Properties
Formula C31H43ClN6O6
Molecular Weight 631.163
Exact Mass 630.293
No. of atoms 87
No. of bonds 88
Polar Surface Area 192.61
LOGP Value 2.46      (Computed with XLOGP3)
3.32      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 22
No. of Nitrogen and Oxygen Atoms: 12
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): Q000H7  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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