PDB Entry (3lp7)

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Visualizer: MichelaNGLo

PDB ID: 3lp7 Resolution: 2.04 Å Exp. Method: X-RAY DIFFRACTION
PMID: 20153713 DOI: 10.1016/j.abb.2010.02.004
Protein
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
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
Database Name Value
PDBBind Kd : 3600 nM
Binding MOAD Kd : 3600 nM