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Related entries of code: 4b5s
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4b5tRCSB PDB    PDBbind251aa, >4B5T_1|Chains... at 99%
4b5wRCSB PDB    PDBbind256aa, >4B5W_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2hzlRCSB PDB    PDBbindPYR
2o9aRCSB PDB    PDBbindPYR
4b5wRCSB PDB    PDBbindPYR
Entry Information
PDB ID4b5s
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE
Ligand NamePYR
EC.Number E.C.4.1.2.52
Resolution 1.68(Å)
Affinity (Kd/Ki/IC50)Kd=0.32mM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Biol.Chem. Vol. 287: pp. 36208
Ligand Properties
Formula C3H4O3
Molecular Weight 88.062
Exact Mass 88.016
No. of atoms 10
No. of bonds 9
Polar Surface Area 54.37
LOGP Value 0.56      (Computed with XLOGP3)
-0.34      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 0
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): B1IS70  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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