Browse entries in the PDBbind-CN Database

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Related entries of code: 1r1i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1dmtRCSB PDB    PDBbind696aa, >1DMT_1|Chain... *
1r1hRCSB PDB    PDBbind696aa, >1R1H_1|Chain... at 100%
1r1jRCSB PDB    PDBbind696aa, >1R1J_1|Chain... at 100%
2qpjRCSB PDB    PDBbind696aa, >2QPJ_1|Chain... at 100%
2yb9RCSB PDB    PDBbind696aa, >2YB9_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1qf1RCSB PDB    PDBbindTI1

Entry Information
PDB ID1r1i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameneprilysin
Ligand NameTI1
EC.Number E.C.3.4.24.11
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Ki=2.9nM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference Acta Crystallogr., Sect.D v60 pp. 392-6, 2004
Ligand Properties
Formula C19H28N2O4S
Molecular Weight 380.502
Exact Mass 380.177
No. of atoms 54
No. of bonds 54
Polar Surface Area 134.3
LOGP Value 4.44      (Computed with XLOGP3)
2.96      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 6
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): P08473  
Entrez Gene IDNCBI Entrez Gene ID: 4311  
ASDInformation of known allosteric effects of PDB entries

 
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