Browse entries in the PDBbind-CN Database

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Related entries of code: 3t2t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3oy8RCSB PDB    PDBbind134aa, >3OY8_2|Chain... at 99%
3oywRCSB PDB    PDBbind134aa, >3OYW_2|Chain... at 99%
4y24RCSB PDB    PDBbind154aa, >4Y24_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3t1lRCSB PDB    PDBbindMQT
Entry Information
PDB ID3t2t
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman Galectin-1
Ligand NameMQT
EC.Number E.C.-.-.-.-
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd>4mM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Chem.Biol.Drug Des. Vol. 79: pp. 339-346
Ligand Properties
Formula C17H22O8
Molecular Weight 354.352
Exact Mass 354.131
No. of atoms 47
No. of bonds 48
Polar Surface Area 111.52
LOGP Value 1.12      (Computed with XLOGP3)
0.18      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 8
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): P09382  
Entrez Gene IDNCBI Entrez Gene ID: 3956  
ASDInformation of known allosteric effects of PDB entries
 
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