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Related entries of code: 1i32
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1i33RCSB PDB    PDBbind360aa, >1I33_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID1i32
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameglyceraldehyde 3-phosphate dehydrogenase
Ligand NameNMD
EC.Number E.C.1.2.1.12
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)IC50=2uM
Release Year2001
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v309 pp. 423-35, 2001
Ligand Properties
Formula C30H30N6O6
Molecular Weight 570.596
Exact Mass 570.223
No. of atoms 72
No. of bonds 77
Polar Surface Area 152.88
LOGP Value 3.10      (Computed with XLOGP3)
3.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 6
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): Q27890  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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