Browse entries in the PDBbind-CN Database

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Related entries of code: 1h8y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1e3uRCSB PDB    PDBbind246aa, >1E3U_2|Chain... at 99%
2wgiRCSB PDB    PDBbind248aa, >2WGI_1|Chains... *
3lceRCSB PDB    PDBbind246aa, >3LCE_1|Chains... at 99%
6rtnRCSB PDB    PDBbind247aa, >6RTN_1|Chains... at 99%
4wz5RCSB PDB    PDBbind248aa, >4WZ5_2|Chains... at 99%
5fq9RCSB PDB    PDBbind248aa, >5FQ9_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1h8y
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namebeta-lactamase
Ligand NameMER
EC.Number E.C.3.5.2.6
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=0.02uM
Release Year2001
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v310 pp. 859-74, 2001
Ligand Properties
Formula C17H28N3O5S
Molecular Weight 386.486
Exact Mass 386.175
No. of atoms 54
No. of bonds 55
Polar Surface Area 149.18
LOGP Value -1.86      (Computed with XLOGP3)
-0.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
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): Q51400  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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