PDB Entry (6u6c)

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Visualizer: MichelaNGLo

PDB ID: 6u6c Resolution: 2.4 Å Exp. Method: X-RAY DIFFRACTION
PMID: 31930594 DOI: 10.1002/pro.3825
Protein
Protein Name: Tryptophan synthase beta chain
Protein Class: LYASE
Uniprot ID/ACC: P9WFX9 (TRPB_MYCTU) Organism: Mycobacterium tuberculosis
Gene Symbol: - Gene ID: 885297
Pocket Descriptors
Volume: 166.592 Depth: 37.9465
Hydrophobicity: 0.688571 Drug Score: 0.00644991
Pocket Similarity: Calculate
Ligand
Ligand Name:   1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
HET ID:   PZV PubChem:   51098268
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1F
Standard InChI:   InChI=1S/C16H15FN2O3S/c1-18-23(21,22)12-6-7-15-11(10-12)8-9-19(15)16(20)13-4-2-3-5-14(13)17/h2-7,10,18H,8-9H2,1H3
Molecular Formula:   C16H15FN2O3S Mol. Weight:   334.3653 Heavy Atoms:   23
Charge:   0 Is Chiral:   False logP:   3.4734
HBD:   1 HBA:   5 TPSA:   74.86
#Bonds:   25 #Rotatable Bonds:   4 Shape Complexity:   0.1875
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-