PDB Entry (5zeh) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 5zeh | Resolution: 2.36 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 31199070 | DOI: 10.1111/febs.14960 | |
Protein |
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Protein Name: Arginase | |
Protein Class: HYDROLASE | |
Uniprot ID/ACC: C4LSS0 (C4LSS0_ENTHI) | Organism: Entamoeba histolytica |
Gene Symbol: - | Gene ID: - |
Pocket Descriptors | |
Volume: 333.76 | Depth: 15.4827 |
Hydrophobicity: 0.625806 | Drug Score: 0.263423 |
Pocket Similarity: Calculate |
Ligand |
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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 |
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