Browse entries in the PDBbind-CN Database

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Related entries of code: 2web
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1apvRCSB PDB    PDBbind323aa, >1APV_1|Chain... *
1apwRCSB PDB    PDBbind323aa, >1APW_1|Chain... at 100%
1bxoRCSB PDB    PDBbind323aa, >1BXO_1|Chain... at 100%
1bxqRCSB PDB    PDBbind323aa, >1BXQ_1|Chain... at 100%
1ppkRCSB PDB    PDBbind323aa, >1PPK_1|Chain... at 100%
1pplRCSB PDB    PDBbind323aa, >1PPL_1|Chain... at 100%
1ppmRCSB PDB    PDBbind323aa, >1PPM_1|Chain... at 100%
2wecRCSB PDB    PDBbind323aa, >2WEC_1|Chain... at 100%
2wedRCSB PDB    PDBbind323aa, >2WED_1|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 ID2web
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePENICILLOPEPSIN
Ligand NamePP4
EC.Number E.C.3.4.23.20
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)Ki=7.6uM
Release Year1998
Protein/NA SequenceCheck fasta file
Primary Reference J.Am.Chem.Soc. 120: 4610-4621
Ligand Properties
Formula C28H34N2O7P
Molecular Weight 541.553
Exact Mass 541.210
No. of atoms 72
No. of bonds 74
Polar Surface Area 147.78
LOGP Value 4.18      (Computed with XLOGP3)
4.56      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 9
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): P00798  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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