Browse entries in the PDBbind-CN Database

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Related entries of code: 5gsw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3qzqRCSB PDB    PDBbind187aa, >3QZQ_1|Chains... at 99%
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... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5gsoRCSB PDB    PDBbind5GI
Entry Information
PDB ID5gsw
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3C protease NK-1.8k
Ligand Name5GI
EC.Number E.C.-.-.-.-
Resolution 3.19(Å)
Affinity (Kd/Ki/IC50)IC50=1.15uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Antimicrob. Agents Chemother. Vol. 61: pp. -
Ligand Properties
Formula C22H28FN4O5
Molecular Weight 447.480
Exact Mass 447.204
No. of atoms 60
No. of bonds 62
Polar Surface Area 138.14
LOGP Value 1.53      (Computed with XLOGP3)
2.18      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 12
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): E7E815  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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