PDB Entry (1a99) Download |
||
Visualizer: MichelaNGLo |
||
PDB ID: 1a99 | Resolution: 2.2 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 9651355 | DOI: 10.1074/jbc.273.28.17604 | |
Protein |
|
Protein Name: Putrescine-binding periplasmic protein | |
Protein Class: TRANSPORTER | |
Uniprot ID/ACC: P31133 (POTF_ECOLI) | Organism: Escherichia coli |
Gene Symbol: - | Gene ID: 48136163 |
Pocket Descriptors | |
Volume: 175.744 | Depth: 26.6404 |
Hydrophobicity: 0.708772 | Drug Score: 0.00531018 |
Pocket Similarity: Calculate |
Ligand |
||
Ligand Name: 1,4-DIAMINOBUTANE | ||
HET ID: PUT | PubChem: 1045 | |
DrugBank: DB01917 | ChEMBL: CHEMBL46257 | |
Canonical SMILES: NCCCCN | ||
Standard InChI: InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2 | ||
Molecular Formula: C4H12N2 | Mol. Weight: 88.15148 | Heavy Atoms: 6 |
Charge: 0 | Is Chiral: False | logP: 1.0846 |
HBD: 2 | HBA: 2 | TPSA: 52.04 |
#Bonds: 5 | #Rotatable Bonds: 3 | Shape Complexity: 1.0 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
|
Database Name | Value |
PDBBind | Kd : 2000 nM |
Binding MOAD | Kd : 2000 nM |