PDB Entry (1lah)

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PDB ID: 1lah 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: 510.848 Depth: 23.341
Hydrophobicity: 0.649425 Drug Score: 0.172035
Pocket Similarity: Calculate
Ligand
Ligand Name:   L-ornithine
HET ID:   ORN PubChem:   6262, 88747248
DrugBank:   DB00129 ChEMBL:   CHEMBL446143
Canonical SMILES:   N[C@H](C(=O)O)CCCN
Standard InChI:   InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
Molecular Formula:   C5H12N2O2 Mol. Weight:   132.16098 Heavy Atoms:   9
Charge:   0 Is Chiral:   True logP:   0.5378
HBD:   3 HBA:   4 TPSA:   89.34
#Bonds:   9 #Rotatable Bonds:   4 Shape Complexity:   0.8
Stereocomplexity:   0.2 Ligand Type:   Small Molecule
Binding Affinity
Database Name Value
PDBBind Kd : 30 nM
Binding MOAD Kd : 30 nM