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Related entries of code: 3qio
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3hyfRCSB PDB    PDBbind150aa, >3HYF_1|Chain... *
3qinRCSB PDB    PDBbind150aa, >3QIN_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3qio
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHIV-1 RNase H p15 with engineered E. coli loop
Ligand NameQID
EC.Number E.C.2.7.7.49
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)Kd=144nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Antimicrob.Agents Chemother. Vol. 55: pp. 2905-2915
Ligand Properties
Formula C14H9N2O5S
Molecular Weight 317.297
Exact Mass 317.023
No. of atoms 31
No. of bonds 33
Polar Surface Area 118.12
LOGP Value 0.58      (Computed with XLOGP3)
3.16      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 7
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): P0A7Y4  P04585  
Entrez Gene IDNCBI Entrez Gene ID: 61755530  946955  155348  
ASDInformation of known allosteric effects of PDB entries
 
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