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Related entries of code: 6o5x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6o5aRCSB PDB    PDBbind99aa, >6O5A_1|Chains... at 100%
6o57RCSB PDB    PDBbind99aa, >6O57_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1a94RCSB PDB    PDBbind0Q4
1baiRCSB PDB    PDBbind0Q4
2aoeRCSB PDB    PDBbind0Q4
6o48RCSB PDB    PDBbind0Q4
Entry Information
PDB ID6o5x
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHIV-1 protease PR-S17
Ligand Name0Q4
EC.Number E.C.-.-.-.-
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Ki=22nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Acs Omega Vol. 4: pp. 8707-8719
Ligand Properties
Formula C40H72N11O8
Molecular Weight 835.069
Exact Mass 834.557
No. of atoms 131
No. of bonds 131
Polar Surface Area 336.15
LOGP Value 2.23      (Computed with XLOGP3)
-0.35      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 33
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 1
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): I7BFC3  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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