PDB Entry (4fck) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 4fck | Resolution: 1.9 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 22869115 | DOI: 10.1107/S1744309112027820 | |
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: 197.312 | Depth: 15.6243 |
Hydrophobicity: 0.563636 | Drug Score: 0.617086 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 2-AMINO-3-GUANIDINO-PROPIONIC ACID | ||
HET ID: GPA | PubChem: 160635 | |
DrugBank: - | ChEMBL: CHEMBL20667 | |
Canonical SMILES: NC(=N)NC[C@@H](C(=O)O)N | ||
Standard InChI: InChI=1S/C4H10N4O2/c5-2(3(9)10)1-8-4(6)7/h2H,1,5H2,(H,9,10)(H4,6,7,8)/t2-/m0/s1 | ||
Molecular Formula: C4H10N4O2 | Mol. Weight: 146.1478 | Heavy Atoms: 10 |
Charge: 0 | Is Chiral: True | logP: -0.2274 |
HBD: 5 | HBA: 6 | TPSA: 125.22 |
#Bonds: 10 | #Rotatable Bonds: 4 | Shape Complexity: 0.5 |
Stereocomplexity: 0.25 | Ligand Type: Small Molecule |
Binding Affinity |
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Database Name | Value |
PDBBind | Ki : 55000000 nM |