Browse entries in the PDBbind-CN Database

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Related entries of code: 2y2i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2y2hRCSB PDB    PDBbind494aa, >2Y2H_1|Chains... *
2y2jRCSB PDB    PDBbind494aa, >2Y2J_1|Chain... at 100%
2y2kRCSB PDB    PDBbind494aa, >2Y2K_1|Chain... at 100%
2y2nRCSB PDB    PDBbind494aa, >2Y2N_1|Chain... at 100%
2y2pRCSB PDB    PDBbind494aa, >2Y2P_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2y59RCSB PDB    PDBbindZA3

Entry Information
PDB ID2y2i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePENICILLIN-BINDING PROTEIN 1B
Ligand NameZA3
EC.Number E.C.2.4.1.129
Resolution 1.78(Å)
Affinity (Kd/Ki/IC50)IC50=26uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Acs Chem.Biol. Vol. 6: pp. 943
Ligand Properties
Formula C8H9BN2O5
Molecular Weight 223.978
Exact Mass 224.060
No. of atoms 25
No. of bonds 25
Polar Surface Area 115.38
LOGP Value -0.03      (Computed with XLOGP3)
0.67      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
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): Q7CRA4  
Entrez Gene IDNCBI Entrez Gene ID: 60233132  
ASDInformation of known allosteric effects of PDB entries

 
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