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Related entries of code: 3gpo
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1ihyRCSB PDB    PDBbindAPR
1szdRCSB PDB    PDBbindAPR
2l8rRCSB PDB    PDBbindAPR
3gqoRCSB PDB    PDBbindAPR
3q6zRCSB PDB    PDBbindAPR
5dusRCSB PDB    PDBbindAPR

Entry Information
PDB ID3gpo
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namemacro domain of Chikungunya virus
Ligand NameAPR
EC.Number E.C.-.-.-.-
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=5uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Virol. Vol. 83: pp. 6534-6545
Ligand Properties
Formula C15H25N5O14P2
Molecular Weight 561.332
Exact Mass 561.087
No. of atoms 61
No. of bonds 64
Polar Surface Area 325.02
LOGP Value -6.34      (Computed with XLOGP3)
-3.58      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 4
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): Q8JUX6  
Entrez Gene IDNCBI Entrez Gene ID: 956309  
ASDInformation of known allosteric effects of PDB entries

 
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