Browse entries in the PDBbind-CN Database

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Related entries of code: 4xbb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ur9RCSB PDB    PDBbind188aa, >3UR9_1|Chains... *
4imqRCSB PDB    PDBbind183aa, >4IMQ_1|Chain... at 98%
4imzRCSB PDB    PDBbind183aa, >4IMZ_1|Chain... at 98%
4inhRCSB PDB    PDBbind185aa, >4INH_1|Chains... at 97%
4xbdRCSB PDB    PDBbind188aa, >4XBD_1|Chains... at 100%
5dg6RCSB PDB    PDBbind188aa, >5DG6_1|Chains... at 98%
5dgjRCSB PDB    PDBbind188aa, >5DGJ_1|Chain... at 98%
5e0gRCSB PDB    PDBbind188aa, >5E0G_1|Chain... at 98%
5e0hRCSB PDB    PDBbind188aa, >5E0H_1|Chains... at 98%
5e0jRCSB PDB    PDBbind188aa, >5E0J_1|Chain... at 98%
5t6fRCSB PDB    PDBbind188aa, >5T6F_1|Chains... at 98%
5t6gRCSB PDB    PDBbind188aa, >5T6G_1|Chains... at 98%
5tg1RCSB PDB    PDBbind188aa, >5TG1_1|Chain... at 98%
5tg2RCSB PDB    PDBbind188aa, >5TG2_1|Chain... at 98%
5wejRCSB PDB    PDBbind188aa, >5WEJ_1|Chains... at 98%
6bidRCSB PDB    PDBbind188aa, >6BID_1|Chain... at 98%
6bicRCSB PDB    PDBbind188aa, >6BIC_1|Chains... at 98%
6bibRCSB PDB    PDBbind188aa, >6BIB_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4xbb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3C-LIKE PROTEASE
Ligand Name3ZR
EC.Number E.C.3.4.22.66
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)IC50>10uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 3144-3155
Ligand Properties
Formula C24H30ClN3O5
Molecular Weight 475.965
Exact Mass 475.187
No. of atoms 63
No. of bonds 65
Polar Surface Area 117.09
LOGP Value 3.53      (Computed with XLOGP3)
3.53      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 8
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): Q83883  
Entrez Gene IDNCBI Entrez Gene ID: 1491970  
ASDInformation of known allosteric effects of PDB entries
 
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