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Related entries of code: 3b2t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ri1RCSB PDB    PDBbind313aa, >3RI1_1|Chains... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3b2t
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameA628T LADD mutant
Ligand NameM33
EC.Number E.C.2.7.10.1
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Kd=6.21uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2007) Proc.Natl.Acad.Sci.Usa Vol. 104: pp. 19802-19807
Ligand Properties
Formula C11H19N5O9P2
Molecular Weight 427.244
Exact Mass 427.066
No. of atoms 46
No. of bonds 48
Polar Surface Area 245.87
LOGP Value -4.32      (Computed with XLOGP3)
-1.32      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 3
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): P21802  
Entrez Gene IDNCBI Entrez Gene ID: 2263  
ASDInformation of known allosteric effects of PDB entries
 
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