Browse entries in the PDBbind-CN Database

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Related entries of code: 1rww
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1bmqRCSB PDB    PDBbind88aa, >1BMQ_2|Chain... *
1ibcRCSB PDB    PDBbind88aa, >1IBC_2|Chain... at 98%
1rwxRCSB PDB    PDBbind88aa, >1RWX_2|Chain... at 100%
3ns7RCSB PDB    PDBbind88aa, >3NS7_2|Chain... at 100%
6f6rRCSB PDB    PDBbind88aa, >6F6R_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1rww
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameInterleukin-1 beta convertase
Ligand NameOQB
EC.Number E.C.3.4.22.36
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Ki=5nM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference Bioorg. Med. Chem. Lett. 2006, 16, 559-562.
Ligand Properties
Formula C26H22N6O5
Molecular Weight 498.490
Exact Mass 498.165
No. of atoms 59
No. of bonds 62
Polar Surface Area 163.27
LOGP Value 2.60      (Computed with XLOGP3)
3.33      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 4
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): P29466  
Entrez Gene IDNCBI Entrez Gene ID: 834  
ASDInformation of known allosteric effects of PDB entries

 
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