Browse entries in the PDBbind-CN Database

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Related entries of code: 3lm1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5ggnRCSB PDB    PDBbindLEC

Entry Information
PDB ID3lm1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAgglutinin alpha chain, MPA
Ligand NameLEC
EC.Number E.C.4.2.1.1
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=20uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Glycobiology Vol. 20: pp. 1643-1653
Ligand Properties
Formula C14H18N2O8
Molecular Weight 342.301
Exact Mass 342.106
No. of atoms 42
No. of bonds 43
Polar Surface Area 154.07
LOGP Value -0.41      (Computed with XLOGP3)
-0.17      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 10
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): P18674  P18676  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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