Browse entries in the PDBbind-CN Database

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Related entries of code: 5ev8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1jjeRCSB PDB    PDBbind222aa, >1JJE_1|Chains... at 100%
1jjtRCSB PDB    PDBbind228aa, >1JJT_1|Chains... at 100%
2dooRCSB PDB    PDBbind228aa, >2DOO_1|Chains... at 100%
4c1fRCSB PDB    PDBbind228aa, >4C1F_1|Chains... at 100%
4c1gRCSB PDB    PDBbind228aa, >4C1G_1|Chains... at 100%
5ewaRCSB PDB    PDBbind230aa, >5EWA_1|Chains... at 100%
5hh4RCSB PDB    PDBbind230aa, >5HH4_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4nq6RCSB PDB    PDBbind3R9
5evbRCSB PDB    PDBbind3R9

Entry Information
PDB ID5ev8
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namemetallo-beta-lactamase IMP-1
Ligand Name3R9
EC.Number E.C.3.5.2.6
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Ki=6uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Proc.Natl.Acad.Sci.USA Vol. 113: pp. E3745-E3754
Ligand Properties
Formula C7H12NO2S3
Molecular Weight 238.371
Exact Mass 238.003
No. of atoms 25
No. of bonds 26
Polar Surface Area 131.14
LOGP Value -0.04      (Computed with XLOGP3)
0.97      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
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): P52699  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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