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Related entries of code: 6fv1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6fv2RCSB PDB    PDBbind306aa, >6FV2_1|Chains... at 98%
5gwyRCSB PDB    PDBbind308aa, >5GWY_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6fv1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameReplicase polyprotein 1ab
Ligand NameE8E
EC.Number E.C.3.4.19.12 ; 3.4.22; 2.7.7.48; 3.6.4.12; 3.6.4.13; 3.1.13; 2.1.1
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=1.08uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2020) J.Med.Chem. Vol. : pp. -
Ligand Properties
Formula C30H38N4O5
Molecular Weight 534.647
Exact Mass 534.284
No. of atoms 77
No. of bonds 79
Polar Surface Area 136.63
LOGP Value 2.72      (Computed with XLOGP3)
3.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 9
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): P0C6X5  
Entrez Gene IDNCBI Entrez Gene ID: 2943501  
ASDInformation of known allosteric effects of PDB entries
 
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