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Related entries of code: 1a7t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a8tRCSB PDB    PDBbind232aa, >1A8T:B|PDBID|CHAIN|... at 100%
1hlkRCSB PDB    PDBbind227aa, >1HLK:B|PDBID|CHAIN|... at 99%
1kr3RCSB PDB    PDBbind232aa, >1KR3:B|PDBID|CHAIN|... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2z8eRCSB PDB    PDBbindMES

Entry Information
PDB ID1a7t
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namemetallo-beta-lactamase
Ligand NameMES
EC.Number E.C.3.5.2.6
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Ki=23mM
Release Year1998
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v37 pp. 6791-800, 1998
Ligand Properties
Formula C6H14NO4S
Molecular Weight 196.245
Exact Mass 196.064
No. of atoms 26
No. of bonds 26
Polar Surface Area 76.42
LOGP Value -3.50      (Computed with XLOGP3)
0.44      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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): P25910  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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