Browse entries in the PDBbind-CN Database

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Related entries of code: 4o4r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3sfgRCSB PDB    PDBbind517aa, >3SFG_1|Chains... at 99%
3upfRCSB PDB    PDBbind525aa, >3UPF_1|Chains... *
3ur0RCSB PDB    PDBbind515aa, >3UR0_1|Chains... at 100%
4nruRCSB PDB    PDBbind515aa, >4NRU_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4lq3RCSB PDB    PDBbind20V

Entry Information
PDB ID4o4r
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamemNV-RdRp
Ligand Name20V
EC.Number E.C.515
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=0.88uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Febs Lett. Vol. 588: pp. 1720-1725
Ligand Properties
Formula C18H20N4O14PS2
Molecular Weight 611.474
Exact Mass 611.016
No. of atoms 59
No. of bonds 61
Polar Surface Area 376.22
LOGP Value -0.38      (Computed with XLOGP3)
5.24      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 6
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): Q80J95  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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