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Related entries of code: 4pf5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1jn2RCSB PDB    PDBbind237aa, >1JN2_1|Chain... *
1jojRCSB PDB    PDBbind237aa, >1JOJ_1|Chains... at 100%
4czsRCSB PDB    PDBbind237aa, >4CZS_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 ID4pf5
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameConcanavalin-A ConA
Ligand NameM3N
EC.Number E.C.-.-.-.-
Resolution 2.04(Å)
Affinity (Kd/Ki/IC50)Kd=3.3uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Chemistry Vol. 21: pp. 1978-1991
Ligand Properties
Formula C9H15N3O6
Molecular Weight 261.232
Exact Mass 261.096
No. of atoms 33
No. of bonds 34
Polar Surface Area 141.09
LOGP Value -3.39      (Computed with XLOGP3)
-3.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 9
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): P02866  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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