PDB Entry (1laf) Download |
||
Visualizer: MichelaNGLo |
||
PDB ID: 1laf | Resolution: 2.06 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 7929349 | DOI: None | |
Protein |
|
Protein Name: Lysine/arginine/ornithine-binding periplasmic protein | |
Protein Class: TRANSPORTER | |
Uniprot ID/ACC: P02911 (ARGT_SALTY) | Organism: almonella typhimurium |
Gene Symbol: - | Gene ID: 1253877 |
Pocket Descriptors | |
Volume: 829.696 | Depth: 23.0651 |
Hydrophobicity: 0.646789 | Drug Score: 0.366058 |
Pocket Similarity: Calculate |
Ligand |
||
Ligand Name: ARGININE | ||
HET ID: ARG | PubChem: 1549073, 5287702, 52941769, 88031296, 59294017, 59904234 | |
DrugBank: DB04027 | ChEMBL: CHEMBL305959 | |
Canonical SMILES: OC(=O)[C@H](CCCNC(=[NH2+])N)N | ||
Standard InChI: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1 | ||
Molecular Formula: C6H15N4O2+ | Mol. Weight: 175.2089 | Heavy Atoms: 12 |
Charge: 1 | Is Chiral: True | logP: -1.3666 |
HBD: 5 | HBA: 5 | TPSA: 126.96 |
#Bonds: 14 | #Rotatable Bonds: 6 | Shape Complexity: 0.6666667 |
Stereocomplexity: 0.16666667 | Ligand Type: Small Molecule |
Binding Affinity |
|
Database Name | Value |
PDBBind | Kd : 14 nM, Kd : 14 nM |
Binding MOAD | Kd : 14 nM, Kd : 14 nM |