Browse entries in the PDBbind-CN Database

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Related entries of code: 6o5a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6o5xRCSB PDB    PDBbind99aa, >6O5X_1|Chains... at 100%
6o57RCSB PDB    PDBbind99aa, >6O57_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2aocRCSB PDB    PDBbind2NC
2aodRCSB PDB    PDBbind2NC
2aogRCSB PDB    PDBbind2NC
2avmRCSB PDB    PDBbind2NC
2avqRCSB PDB    PDBbind2NC
3bvaRCSB PDB    PDBbind2NC
3fsmRCSB PDB    PDBbind2NC
3hauRCSB PDB    PDBbind2NC
3hawRCSB PDB    PDBbind2NC
3hboRCSB PDB    PDBbind2NC
3hdkRCSB PDB    PDBbind2NC
3hloRCSB PDB    PDBbind2NC
3iawRCSB PDB    PDBbind2NC
3ka2RCSB PDB    PDBbind2NC
6o57RCSB PDB    PDBbind2NC
Entry Information
PDB ID6o5a
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHIV-1 protease PR-S17
Ligand Name2NC
EC.Number E.C.-.-.-.-
Resolution 1.67(Å)
Affinity (Kd/Ki/IC50)Ki=514nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Acs Omega Vol. 4: pp. 8707-8719
Ligand Properties
Formula C35H69N11O8
Molecular Weight 771.991
Exact Mass 771.533
No. of atoms 123
No. of bonds 122
Polar Surface Area 334.53
LOGP Value 1.18      (Computed with XLOGP3)
-0.19      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 35
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 0
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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