InhA in complex with a DNA encoded library hit. Determined by X-ray diffraction at 1.73 Å resolution. Released 30 Nov 2016.
Explore 5G0U in 3D Show helices and sheets RCSB PDB PDBe
5G0U contains 51 α-helices and 36 β-strands across 4 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 9-13 | 5 | 1 |
| α-helix | 21-31 | 11 | |
| β-strand | 35-40 | 6 | 1 |
| α-helix | 44-51 | 8 | |
| β-strand | 60-62 | 3 | 1 |
| α-helix | 68-82 | 15 | |
| β-strand | 88-93 | 6 | 1 |
| α-helix | 108-110 | 3 | |
| α-helix | 113-120 | 8 | |
| α-helix | 121-125 | 5 | |
| α-helix | 126-134 | 9 | |
| α-helix | 135-137 | 3 | |
| β-strand | 138-148 | 11 | 1 |
| β-strand | 154 | 1 | 2 |
| α-helix | 159-180 | 22 | |
| β-strand | 185-191 | 7 | 1 |
| α-helix | 197-204 | 8 | |
| α-helix | 209-225 | 17 | |
| α-helix | 236-246 | 11 | |
| β-strand | 256-260 | 5 | 1 |
| α-helix | 264-266 | 3 | |
| β-strand | 267 | 1 | 3 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 9-13 | 5 | 5 |
| α-helix | 21-31 | 11 | |
| β-strand | 35-40 | 6 | 5 |
| α-helix | 44-51 | 8 | |
| β-strand | 60-62 | 3 | 5 |
| α-helix | 68-82 | 15 | |
| β-strand | 88-93 | 6 | 5 |
| α-helix | 108-110 | 3 | |
| α-helix | 113-120 | 8 | |
| α-helix | 121-125 | 5 | |
| α-helix | 126-134 | 9 | |
| α-helix | 135-137 | 3 | |
| β-strand | 138-148 | 11 | 5 |
| β-strand | 154 | 1 | 6 |
| α-helix | 159-180 | 22 | |
| β-strand | 185-191 | 7 | 5 |
| α-helix | 217-225 | 9 | |
| α-helix | 236-246 | 11 | |
| β-strand | 256-260 | 5 | 5 |
| α-helix | 264-266 | 3 | |
| β-strand | 267 | 1 | 7 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 9-13 | 5 | 8 |
| α-helix | 21-31 | 11 | |
| β-strand | 35-40 | 6 | 8 |
| α-helix | 47-51 | 5 | |
| β-strand | 60-62 | 3 | 8 |
| α-helix | 68-82 | 15 | |
| β-strand | 88-93 | 6 | 8 |
| α-helix | 108-110 | 3 | |
| α-helix | 113-120 | 8 | |
| α-helix | 121-125 | 5 | |
| α-helix | 126-134 | 9 | |
| α-helix | 135-137 | 3 | |
| β-strand | 138-148 | 11 | 8 |
| β-strand | 154 | 1 | 7 |
| α-helix | 160-180 | 21 | |
| β-strand | 185-191 | 7 | 8 |
| α-helix | 197-204 | 8 | |
| α-helix | 209-225 | 17 | |
| α-helix | 236-246 | 11 | |
| β-strand | 256-260 | 5 | 8 |
| α-helix | 264-266 | 3 | |
| β-strand | 267 | 1 | 6 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] | A, B, C, D | protein | 269 | MYCOBACTERIUM TUBERCULOSIS H37RV | P9WGR1 (AlphaFold model) |
>5G0U_1 ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH] (chains A, B, C, D) MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPL LELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGI HISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAG KYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAK TVCALLSDWLPATTGDIIYADGGAHTQLL
| ID | Name | Formula | Copies |
|---|---|---|---|
| NAD | Nicotinamide-adenine-dinucleotide | C21 H27 N7 O14 P2 | 4 |
| 9CV | 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{N}-methyl-6-[(1-pyridin-2-ylpip… | C30 H31 F N6 O2 | 2 |
Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology. Soutter, H.H., Centrella, P., Clark, M.A. et al. Proc Natl Acad Sci U S A (2016) 113:E7780. DOI 10.1073/PNAS.1610978113 · PubMed
Other PDB entries of the same protein (UniProt P9WGR1 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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