Browse entries in the PDBbind-CN Database

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Related entries of code: 1ajp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ai4RCSB PDB    PDBbind209aa, >1AI4_1|Chain... *
1ai5RCSB PDB    PDBbind209aa, >1AI5_1|Chain... at 100%
1ai6RCSB PDB    PDBbind209aa, >1AI6_1|Chain... at 100%
1ai7RCSB PDB    PDBbind209aa, >1AI7_1|Chain... at 100%
1ajnRCSB PDB    PDBbind209aa, >1AJN_1|Chain... at 100%
1ajqRCSB PDB    PDBbind209aa, >1AJQ_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4aq6RCSB PDB    PDBbindOMD
Entry Information
PDB ID1ajp
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namepenicillin amidohydrolase
Ligand NameOMD
EC.Number E.C.3.5.1.11
Resolution 2.31(Å)
Affinity (Kd/Ki/IC50)Ki=5.85mM
Release Year1997
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v284 pp. 463-75, 1998
Ligand Properties
Formula C8H8O4
Molecular Weight 168.147
Exact Mass 168.042
No. of atoms 20
No. of bonds 20
Polar Surface Area 77.76
LOGP Value 2.12      (Computed with XLOGP3)
0.72      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
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): P06875  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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