InhA (T2A mutant) complexed with 1-(Pyridin-3-ylmethyl)-3-(1-(pyrimidin-2-yl)piperidin-4-yl)urea. Determined by X-ray diffraction at 1.71 Å resolution. Released 14 Feb 2018.
Explore 5OIP in 3D Show helices and sheets RCSB PDB PDBe
5OIP contains 16 α-helices and 7 β-strands across 1 chain. 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 | |
| α-helix | 34 | 1 | |
| 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 | 100-102 | 3 | |
| 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 |
| α-helix | 159-180 | 22 | |
| β-strand | 185-191 | 7 | 1 |
| α-helix | 192-193 | 2 | |
| α-helix | 197-203 | 7 | |
| α-helix | 209-225 | 17 | |
| α-helix | 236-246 | 11 | |
| β-strand | 256-260 | 5 | 1 |
| α-helix | 264-266 | 3 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] | A | protein | 269 | Mycobacterium tuberculosis | P9WGR1 (AlphaFold model) |
>5OIP_1 Enoyl-[acyl-carrier-protein] reductase [NADH] (chains A) MAGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPL LELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGI HISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAG KYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAK TVCALLSDWLPATTGDIIYADGGAHTQLL
| ID | Name | Formula | Copies |
|---|---|---|---|
| PO4 | Phosphate ion | O4 P | 1 |
| 9WE | 1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea | C16 H20 N6 O | 1 |
| NAD | Nicotinamide-adenine-dinucleotide | C21 H27 N7 O14 P2 | 1 |
Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA. Prati, F., Zuccotto, F., Fletcher, D. et al. ChemMedChem (2018) 13:672-677. DOI 10.1002/cmdc.201700774 · 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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