PDB Entry (7bvf) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 7bvf | Resolution: 2.97 Å | Exp. Method: ELECTRON MICROSCOPY |
PMID: 32327601 | DOI: 10.1126/science.aba9102 | |
Protein |
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Protein Name: Probable arabinosyltransferase B | |
Protein Class: TRANSFERASE | |
Uniprot ID/ACC: P9WNL7 (EMBB_MYCTU) | Organism: Mycobacterium tuberculosis |
Gene Symbol: - | Gene ID: 23489916 |
Pocket Descriptors | |
Volume: 89.728 | Depth: 15.8168 |
Hydrophobicity: 0.712871 | Drug Score: 0.0136577 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: Ethambutol | ||
HET ID: 95E | PubChem: 14052 | |
DrugBank: DB00330 | ChEMBL: CHEMBL44884 | |
Canonical SMILES: CC[C@H](NCCN[C@H](CO)CC)CO | ||
Standard InChI: InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1 | ||
Molecular Formula: C10H24N2O2 | Mol. Weight: 204.30975 | Heavy Atoms: 14 |
Charge: 0 | Is Chiral: True | logP: 0.4892 |
HBD: 4 | HBA: 4 | TPSA: 64.52 |
#Bonds: 15 | #Rotatable Bonds: 9 | Shape Complexity: 1.0 |
Stereocomplexity: 0.2 | Ligand Type: Small Molecule |
Binding Affinity |
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