PDB Entry (6mli)

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Visualizer: MichelaNGLo

PDB ID: 6mli Resolution: 1.88 Å Exp. Method: X-RAY DIFFRACTION
PMID: 31348608 DOI: 10.1111/febs.15019
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: 746.112 Depth: 24.0466
Hydrophobicity: 0.71134 Drug Score: 0.467584
Pocket Similarity: Calculate
Ligand
Ligand Name:   HISTIDINE
HET ID:   HIS PubChem:   5288559, 5460943, 86580368
DrugBank:   - ChEMBL:   CHEMBL1233334
Canonical SMILES:   N[C@H](C(=O)O)Cc1c[nH]c[nH+]1
Standard InChI:   InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
Molecular Formula:   C6H10N3O2+ Mol. Weight:   156.1625 Heavy Atoms:   11
Charge:   1 Is Chiral:   True logP:   -0.5165
HBD:   4 HBA:   3 TPSA:   93.25
#Bonds:   14 #Rotatable Bonds:   3 Shape Complexity:   0.33333334
Stereocomplexity:   0.16666667 Ligand Type:   Small Molecule
Binding Affinity
-