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Related entries of code: 5hva
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5hwuRCSB PDB    PDBbind138aa, >5HWU_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2hquRCSB PDB    PDBbindDUP
2py4RCSB PDB    PDBbindDUP
2yayRCSB PDB    PDBbindDUP
3ehwRCSB PDB    PDBbindDUP
4gv8RCSB PDB    PDBbindDUP
5ectRCSB PDB    PDBbindDUP
5eddRCSB PDB    PDBbindDUP
5hwuRCSB PDB    PDBbindDUP
5mydRCSB PDB    PDBbindDUP
5nyzRCSB PDB    PDBbindDUP
5nz2RCSB PDB    PDBbindDUP
Entry Information
PDB ID5hva
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameDR2231 from Deinococcus radiodurans
Ligand NameDUP
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=0.086uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) FEBS J. Vol. 283: pp. 4274-4290
Ligand Properties
Formula C9H19N3O13P3
Molecular Weight 470.181
Exact Mass 470.013
No. of atoms 47
No. of bonds 48
Polar Surface Area 297.19
LOGP Value -5.77      (Computed with XLOGP3)
-2.82      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 16
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): Q9RS96  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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