Browse entries in the PDBbind-CN Database

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Related entries of code: 3dwb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1dmtRCSB PDB    PDBbindRDF
1tlpRCSB PDB    PDBbindRDF
3zukRCSB PDB    PDBbindRDF
6bh8RCSB PDB    PDBbindRDF

Entry Information
PDB ID3dwb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameEndothelin-converting enzyme 1(C428S)
Ligand NameRDF
EC.Number E.C.3.4.24.71
Resolution 2.38(Å)
Affinity (Kd/Ki/IC50)IC50=0.65uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Mol.Biol. Vol. 385: pp. 178-187
Ligand Properties
Formula C23H35N3O10P
Molecular Weight 544.512
Exact Mass 544.206
No. of atoms 72
No. of bonds 74
Polar Surface Area 227.42
LOGP Value 0.65      (Computed with XLOGP3)
0.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 3
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): P42892  
Entrez Gene IDNCBI Entrez Gene ID: 1889  
ASDInformation of known allosteric effects of PDB entries

 
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