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Related entries of code: 3iaf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3d7kRCSB PDB    PDBbind570aa, >3D7K_1|Chains... *
3iaeRCSB PDB    PDBbind570aa, >3IAE_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3exeRCSB PDB    PDBbindTPP
3exfRCSB PDB    PDBbindTPP
3exhRCSB PDB    PDBbindTPP
3hwxRCSB PDB    PDBbindTPP

Entry Information
PDB ID3iaf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namebenzaldehyde lyase A28S mutant
Ligand NameTPP
EC.Number E.C.4.1.2.38
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Ki=1.2mM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Am.Chem.Soc. Vol. 132: pp. 438-439
Ligand Properties
Formula C12H21N4O7P2S
Molecular Weight 427.330
Exact Mass 427.061
No. of atoms 47
No. of bonds 48
Polar Surface Area 231.76
LOGP Value -1.41      (Computed with XLOGP3)
1.34      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 2
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): Q9F4L3  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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