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PDB Entry (1laf) Download |
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Visualizer: MichelaNGLo |
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| PDB ID: 1laf | Resolution: 2.06 Å | Exp. Method: X-RAY DIFFRACTION |
| PMID: 7929349 | DOI: None | |
Protein |
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| 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 |
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| 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 |
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| Database Name | Value |
| PDBBind | Kd : 14 nM, Kd : 14 nM |
| Binding MOAD | Kd : 14 nM, Kd : 14 nM |