PDB Entry (3lp7) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 3lp7 | Resolution: 2.04 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 20153713 | DOI: 10.1016/j.abb.2010.02.004 | |
Protein |
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Protein Name: Arginase-1 | |
Protein Class: HYDROLASE | |
Uniprot ID/ACC: P05089 (ARGI1_HUMAN) | Organism: Homo sapiens |
Gene Symbol: ARG1 | Gene ID: 383 |
Pocket Descriptors | |
Volume: 211.072 | Depth: 15.3451 |
Hydrophobicity: 0.607143 | Drug Score: 0.390549 |
Pocket Similarity: Calculate |
Ligand |
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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 |
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Database Name | Value |
PDBBind | Kd : 3600 nM |
Binding MOAD | Kd : 3600 nM |