Browse entries in the PDBbind-CN Database

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Related entries of code: 6aqo
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6ar9RCSB PDB    PDBbind272aa, >6AR9_2|Chain... at 100%
6mxdRCSB PDB    PDBbind272aa, >6MXD_1|Chains... at 100%
6mxcRCSB PDB    PDBbind272aa, >6MXC_1|Chains... at 100%
6mxbRCSB PDB    PDBbind272aa, >6MXB_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6aptRCSB PDB    PDBbind45T

Entry Information
PDB ID6aqo
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehypoxanthine-guanine-xanthine PRTase
Ligand Name45T
EC.Number E.C.-.-.-.-
Resolution 2.64(Å)
Affinity (Kd/Ki/IC50)Ki=0.77uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) PLoS Negl Trop Dis Vol. 12: pp. e0006301-e0006301
Ligand Properties
Formula C12H24N5O9P2
Molecular Weight 444.295
Exact Mass 444.105
No. of atoms 52
No. of bonds 53
Polar Surface Area 257.86
LOGP Value -4.11      (Computed with XLOGP3)
-2.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 14
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): Q38CA1  
Entrez Gene IDNCBI Entrez Gene ID: 3662981  
ASDInformation of known allosteric effects of PDB entries

 
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