PDB Entry (4m5a) Download |
||
Visualizer: MichelaNGLo |
||
PDB ID: 4m5a | Resolution: 1.7 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: None | |
Protein |
|
Protein Name: Ribosome inactivating protein | |
Protein Class: HYDROLASE | |
Uniprot ID/ACC: D9J2T9 (D9J2T9_MOMBA) | Organism: Momordica balsamina |
Gene Symbol: - | Gene ID: - |
Pocket Descriptors | |
Volume: 481.856 | Depth: 17.186 |
Hydrophobicity: 0.706422 | Drug Score: 0.353037 |
Pocket Similarity: Calculate |
Ligand |
||
Ligand Name: NG,NG-DIMETHYL-L-ARGININE | ||
HET ID: DA2 | PubChem: 123831 | |
DrugBank: DB01686 | ChEMBL: CHEMBL457530 | |
Canonical SMILES: OC(=O)[C@H](CCCNC(=N)N(C)C)N | ||
Standard InChI: InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1 | ||
Molecular Formula: C8H18N4O2 | Mol. Weight: 202.25412 | Heavy Atoms: 14 |
Charge: 0 | Is Chiral: True | logP: 0.4554 |
HBD: 4 | HBA: 6 | TPSA: 102.44 |
#Bonds: 14 | #Rotatable Bonds: 7 | Shape Complexity: 0.75 |
Stereocomplexity: 0.125 | Ligand Type: Small Molecule |
Binding Affinity |
||
- |