PDB Entry (5zee) Download |
||
Visualizer: MichelaNGLo |
||
PDB ID: 5zee | Resolution: 1.74 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 31199070 | DOI: 10.1111/febs.14960 | |
Protein |
|
Protein Name: Arginase | |
Protein Class: HYDROLASE | |
Uniprot ID/ACC: C4LSS0 (C4LSS0_ENTHI) | Organism: Entamoeba histolytica |
Gene Symbol: - | Gene ID: - |
Pocket Descriptors | |
Volume: 330.24 | Depth: 15.7689 |
Hydrophobicity: 0.619718 | Drug Score: 0.266785 |
Pocket Similarity: Calculate |
Ligand |
||
Ligand Name: N-OMEGA-HYDROXY-L-ARGININE | ||
HET ID: HAR | PubChem: 123895, 25799416 | |
DrugBank: DB03144 | ChEMBL: CHEMBL260629 | |
Canonical SMILES: ONC(=N)NCCC[C@@H](C(=O)O)N | ||
Standard InChI: InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1 | ||
Molecular Formula: C6H14N4O3 | Mol. Weight: 190.20036 | Heavy Atoms: 13 |
Charge: 0 | Is Chiral: True | logP: 0.2635 |
HBD: 6 | HBA: 7 | TPSA: 131.46 |
#Bonds: 13 | #Rotatable Bonds: 7 | Shape Complexity: 0.6666667 |
Stereocomplexity: 0.16666667 | Ligand Type: Small Molecule |
Binding Affinity |
||
- |