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Related entries of code: 4p4s
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4p4tRCSB PDB    PDBbind360aa, >4P4T_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4dcvRCSB PDB    PDBbindGCP
5izlRCSB PDB    PDBbindGCP

Entry Information
PDB ID4p4s
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameInterferon-induced GTP-binding protein Mx1 stalkless-MxA
Ligand NameGCP
EC.Number E.C.-.-.-.-
Resolution 3.3(Å)
Affinity (Kd/Ki/IC50)Kd=11.5uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Structure Vol. 22: pp. 1433-1445
Ligand Properties
Formula C11H22N5O13P3
Molecular Weight 525.239
Exact Mass 525.043
No. of atoms 54
No. of bonds 56
Polar Surface Area 341.37
LOGP Value -5.75      (Computed with XLOGP3)
-3.54      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 18
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): P20591  
Entrez Gene IDNCBI Entrez Gene ID: 4599  
ASDInformation of known allosteric effects of PDB entries

 
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