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Related entries of code: 1bxq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1apvRCSB PDB    PDBbind323aa, >1APV:E|PDBID|CHAIN|... *
1apwRCSB PDB    PDBbind323aa, >1APW:E|PDBID|CHAIN|... at 100%
1bxoRCSB PDB    PDBbind323aa, >1BXO:A|PDBID|CHAIN|... at 100%
1ppkRCSB PDB    PDBbind323aa, >1PPK:E|PDBID|CHAIN|... at 100%
1pplRCSB PDB    PDBbind323aa, >1PPL:E|PDBID|CHAIN|... at 100%
1ppmRCSB PDB    PDBbind323aa, >1PPM:E|PDBID|CHAIN|... at 100%
2webRCSB PDB    PDBbind323aa, >2WEB:A|PDBID|CHAIN|... at 100%
2wecRCSB PDB    PDBbind323aa, >2WEC:A|PDBID|CHAIN|... at 100%
2wedRCSB PDB    PDBbind323aa, >2WED:A|PDBID|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 ID1bxq
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namepenicillopepsin
Ligand NamePP8
EC.Number E.C.3.4.23.20
Resolution 1.41(Å)
Affinity (Kd/Ki/IC50)Ki=42nM
Release Year1998
Protein/NA SequenceCheck fasta file
Primary ReferenceBiochemistry v37 pp. 16839-45, 1998
Ligand Properties
Formula C29H48N4O9P
Molecular Weight 627.687
Exact Mass 627.316
No. of atoms 91
No. of bonds 91
Polar Surface Area 219.97
LOGP Value 2.14      (Computed with XLOGP3)
3.44      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 22
No. of Nitrogen and Oxygen Atoms: 13
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): P00798  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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