Browse entries in the PDBbind-CN Database

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Related entries of code: 1ai6
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%
1ai7RCSB PDB    PDBbind209aa, >1AI7_1|Chain... at 100%
1ajnRCSB PDB    PDBbind209aa, >1AJN_1|Chain... at 100%
1ajpRCSB PDB    PDBbind209aa, >1AJP_1|Chain... at 100%
1ajqRCSB PDB    PDBbind209aa, >1AJQ_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3pcgRCSB PDB    PDBbind4HP
5aipRCSB PDB    PDBbind4HP
Entry Information
PDB ID1ai6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namepenicillin amidohydrolase
Ligand Name4HP
EC.Number E.C.3.5.1.11
Resolution 2.55(Å)
Affinity (Kd/Ki/IC50)Ki=0.107mM
Release Year1997
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v284 pp. 463-75, 1998
Ligand Properties
Formula C8H8O3
Molecular Weight 152.147
Exact Mass 152.047
No. of atoms 19
No. of bonds 19
Polar Surface Area 57.53
LOGP Value 2.47      (Computed with XLOGP3)
1.02      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
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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