Browse entries in the PDBbind-CN Database

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Related entries of code: 1erq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1eroRCSB PDB    PDBbind263aa, >1ERO_1|Chain... at 96%
1jtdRCSB PDB    PDBbind263aa, >1JTD_1|Chain... at 96%
1nxyRCSB PDB    PDBbind263aa, >1NXY_1|Chain... at 96%
1ny0RCSB PDB    PDBbind263aa, >1NY0_1|Chain... at 96%
1nymRCSB PDB    PDBbind263aa, >1NYM_1|Chain... at 96%
1nyyRCSB PDB    PDBbind263aa, >1NYY_1|Chain... at 96%
1pzoRCSB PDB    PDBbind263aa, >1PZO_1|Chain... at 96%
1pzpRCSB PDB    PDBbind263aa, >1PZP_1|Chain... at 96%
5npoRCSB PDB    PDBbind265aa, >5NPO_2|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1erq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namebeta-lactamase tem
Ligand NameBJH
EC.Number E.C.3.5.2.6
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=13nM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v39 pp. 5312-21, 2000
Ligand Properties
Formula C11H14BNO6
Molecular Weight 267.043
Exact Mass 267.091
No. of atoms 33
No. of bonds 33
Polar Surface Area 127.09
LOGP Value 1.31      (Computed with XLOGP3)
-0.04      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 1
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): P62593  
Entrez Gene IDNCBI Entrez Gene ID: 59692520  
ASDInformation of known allosteric effects of PDB entries

 
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