Browse entries in the PDBbind-CN Database

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Related entries of code: 1dth
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1atlRCSB PDB    PDBbind202aa, >1ATL_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1rm8RCSB PDB    PDBbindBAT
2j83RCSB PDB    PDBbindBAT

Entry Information
PDB ID1dth
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameatrolysin c
Ligand NameBAT
EC.Number E.C.3.4.24.42
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=6nM
Release Year1997
Protein/NA SequenceCheck fasta file
Primary Reference Proc.Natl.Acad.Sci.USA v93 pp. 2749-54, 1996
Ligand Properties
Formula C23H31N3O4S2
Molecular Weight 477.640
Exact Mass 477.176
No. of atoms 63
No. of bonds 64
Polar Surface Area 161.07
LOGP Value 3.55      (Computed with XLOGP3)
4.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 7
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): P15167  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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