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Related entries of code: 5a6x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5mayRCSB PDB    PDBbind114aa, >5MAY_1|Chains... at 100%
5mb1RCSB PDB    PDBbind114aa, >5MB1_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1rdiRCSB PDB    PDBbindMFU
2boiRCSB PDB    PDBbindMFU
2bt9RCSB PDB    PDBbindMFU
2jdmRCSB PDB    PDBbindMFU
2jdpRCSB PDB    PDBbindMFU
2jduRCSB PDB    PDBbindMFU
4csdRCSB PDB    PDBbindMFU
5mxfRCSB PDB    PDBbindMFU
6htnRCSB PDB    PDBbindMFU
6h9vRCSB PDB    PDBbindMFU
Entry Information
PDB ID5a6x
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameLecB lectin from Pseudomonas aeruginosa strain PA14
Ligand NameMFU
EC.Number E.C.-.-.-.-
Resolution 1.55(Å)
Affinity (Kd/Ki/IC50)Kd=202nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Chem.Sci. Vol. 7: pp. 4990-5001
Ligand Properties
Formula C7H14O5
Molecular Weight 178.183
Exact Mass 178.084
No. of atoms 26
No. of bonds 26
Polar Surface Area 79.15
LOGP Value -1.55      (Computed with XLOGP3)
-1.54      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
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): A0A0H2ZE85  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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