Browse entries in the PDBbind-CN Database

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Related entries of code: 3qzq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3sjiRCSB PDB    PDBbind190aa, >3SJI_1|Chain... at 91%
3sjoRCSB PDB    PDBbind190aa, >3SJO_1|Chains... at 95%
4ghtRCSB PDB    PDBbind192aa, >4GHT_1|Chains... at 94%
5c1xRCSB PDB    PDBbind192aa, >5C1X_1|Chains... at 94%
5c1yRCSB PDB    PDBbind192aa, >5C1Y_1|Chain... at 94%
5c20RCSB PDB    PDBbind192aa, >5C20_1|Chain... at 94%
5dp4RCSB PDB    PDBbind192aa, >5DP4_1|Chains... at 94%
5dp5RCSB PDB    PDBbind181aa, >5DP5_1|Chain... at 98%
5dp6RCSB PDB    PDBbind192aa, >5DP6_1|Chains... at 94%
5dp7RCSB PDB    PDBbind192aa, >5DP7_1|Chain... at 94%
5dp8RCSB PDB    PDBbind192aa, >5DP8_1|Chain... at 94%
5dp9RCSB PDB    PDBbind192aa, >5DP9_1|Chain... at 94%
5dpaRCSB PDB    PDBbind192aa, >5DPA_1|Chain... at 94%
5gsoRCSB PDB    PDBbind204aa, >5GSO_1|Chains... *
5gswRCSB PDB    PDBbind183aa, >5GSW_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3sjiRCSB PDB    PDBbindAG7
3sjoRCSB PDB    PDBbindAG7
4ghtRCSB PDB    PDBbindAG7
Entry Information
PDB ID3qzq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman enterovirus 71 3C protease mutant E71D
Ligand NameAG7
EC.Number E.C.-.-.-.-
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)IC50=2.3uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Virol. Vol. 85: pp. 10021-10030
Ligand Properties
Formula C31H41FN4O7
Molecular Weight 600.678
Exact Mass 600.296
No. of atoms 84
No. of bonds 86
Polar Surface Area 156.7
LOGP Value 3.16      (Computed with XLOGP3)
4.16      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 19
No. of Nitrogen and Oxygen Atoms: 11
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): E7E815  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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