Browse entries in the PDBbind-CN Database

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Related entries of code: 3upf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3sfgRCSB PDB    PDBbind517aa, >3SFG_1|Chains... at 99%
3ur0RCSB PDB    PDBbind515aa, >3UR0_1|Chains... at 100%
4nruRCSB PDB    PDBbind515aa, >4NRU_1|Chains... at 100%
4o4rRCSB PDB    PDBbind515aa, >4O4R_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3upf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namemurine norovirus RNA-dependent RNA polymerase
Ligand Name0BU
EC.Number E.C.-.-.-.-
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)IC50=200nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Mol.Biol. Vol. 419: pp. 198-210
Ligand Properties
Formula C35H36N4O21S6
Molecular Weight 1041.060
Exact Mass 1040.020
No. of atoms 102
No. of bonds 108
Polar Surface Area 584.19
LOGP Value -0.13      (Computed with XLOGP3)
11.17      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 25
No. of Rings: 7
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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