9RJL: Mycobacterium tuberculosis InhA
Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative KV35a (compound 12). Determined by X-ray diffraction at 1.7 Å resolution. Released 11 Feb 2026.
- Method
- X-ray diffraction
- Resolution
- 1.7 Å
- Organism
- Mycobacterium tuberculosis
- Chains
- 6
- Atoms
- 12,954
- Mol. weight
- 175.9 kDa
- Ligands
- A1JGY
- Released
- 11 Feb 2026
Explore 9RJL in 3D
Show helices and sheets
RCSB PDB
PDBe
Secondary structure: helices and β-sheets
9RJL contains 83 α-helices and 50 β-strands across 6 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.
Chains A and B: 13 helices, 7 β-strands
| Element | Residues | Length | Sheet |
|---|
| β-strand | 9-12 | 4 | 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 | 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 | 209-225 | 17 | |
| α-helix | 236-246 | 11 | |
| β-strand | 256-260 | 5 | 1 |
| α-helix | 264-266 | 3 | |
Chain C: 14 helices, 9 β-strands
| Element | Residues | Length | Sheet |
|---|
| β-strand | 9-12 | 4 | 3 |
| α-helix | 21-31 | 11 | |
| β-strand | 35-40 | 6 | 3 |
| α-helix | 44-51 | 8 | |
| β-strand | 60-62 | 3 | 3 |
| α-helix | 68-82 | 15 | |
| β-strand | 88-93 | 6 | 3 |
| 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 | 3 |
| β-strand | 154 | 1 | 4 |
| α-helix | 160-180 | 21 | |
| β-strand | 185-191 | 7 | 3 |
| α-helix | 197-203 | 7 | |
| α-helix | 209-225 | 17 | |
| α-helix | 236-246 | 11 | |
| β-strand | 256-260 | 5 | 3 |
| α-helix | 264-266 | 3 | |
| β-strand | 267 | 1 | 5 |
Chain D: 14 helices, 9 β-strands
| Element | Residues | Length | Sheet |
|---|
| β-strand | 9-12 | 4 | 6 |
| α-helix | 21-31 | 11 | |
| α-helix | 34 | 1 | |
| β-strand | 35-40 | 6 | 6 |
| α-helix | 44-51 | 8 | |
| β-strand | 60-62 | 3 | 6 |
| α-helix | 68-82 | 15 | |
| β-strand | 88-93 | 6 | 6 |
| 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 | 6 |
| β-strand | 154 | 1 | 7 |
| α-helix | 159-180 | 22 | |
| β-strand | 185-191 | 7 | 6 |
| α-helix | 209-225 | 17 | |
| α-helix | 236-246 | 11 | |
| β-strand | 256-260 | 5 | 6 |
| α-helix | 264-266 | 3 | |
| β-strand | 267 | 1 | 8 |
Chain E: 14 helices, 9 β-strands
| Element | Residues | Length | Sheet |
|---|
| β-strand | 9-12 | 4 | 9 |
| α-helix | 21-31 | 11 | |
| α-helix | 34 | 1 | |
| β-strand | 35-40 | 6 | 9 |
| α-helix | 45-51 | 7 | |
| β-strand | 60-62 | 3 | 9 |
| α-helix | 68-82 | 15 | |
| β-strand | 88-93 | 6 | 9 |
| 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 | 9 |
| β-strand | 154 | 1 | 5 |
| α-helix | 159-180 | 22 | |
| β-strand | 185-191 | 7 | 9 |
| α-helix | 208-225 | 18 | |
| α-helix | 236-246 | 11 | |
| β-strand | 256-260 | 5 | 9 |
| α-helix | 264-266 | 3 | |
| β-strand | 267 | 1 | 4 |
Chain F: 15 helices, 9 β-strands
| Element | Residues | Length | Sheet |
|---|
| β-strand | 9-12 | 4 | 10 |
| α-helix | 21-31 | 11 | |
| α-helix | 34 | 1 | |
| β-strand | 35-40 | 6 | 10 |
| α-helix | 44-51 | 8 | |
| β-strand | 60-62 | 3 | 10 |
| α-helix | 68-82 | 15 | |
| β-strand | 88-93 | 6 | 10 |
| 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 | 10 |
| β-strand | 154 | 1 | 8 |
| α-helix | 159-180 | 22 | |
| β-strand | 185-191 | 7 | 10 |
| α-helix | 197-201 | 5 | |
| α-helix | 216-225 | 10 | |
| α-helix | 236-246 | 11 | |
| β-strand | 256-260 | 5 | 10 |
| α-helix | 264-266 | 3 | |
| β-strand | 267 | 1 | 7 |
Molecules and chains
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|
| Enoyl-[acyl-carrier-protein] reductase [NADH] | A, B, C, D, E, F | protein | 272 | Mycobacterium tuberculosis | P9WGR1 (AlphaFold model) |
Sequence of entity 1 (A, B, C, D, E, F), FASTA
>9RJL_1 Enoyl-[acyl-carrier-protein] reductase [NADH] (chains A, B, C, D, E, F)
GSHMTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAK
APLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVS
KGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAR
EAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATP
VAKTVCALLSDWLPATTGDIIYADGGAHTQLL
Ligands and cofactors
| ID | Name | Formula | Copies |
|---|
| A1JGY | ~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-1… | C27 H31 Cl N4 O8 | 5 |
Primary citation
Optimizing the Antibiotic Potency and Metabolic Stability of Pyridomycin Using a Semisynthetic Approach. Valderrama, K., Horlacher, O., Publicola, G. et al. J Med Chem (2026) 69:2496-2508. DOI 10.1021/acs.jmedchem.5c02409 · PubMed
Other PDB entries of the same protein (UniProt P9WGR1 (AlphaFold model), which also has an AlphaFold model), best resolution first:
- 4TRO 1.4 Å, Structure of the enoyl-ACP reductase of Mycobacterium tuberculosis InhA, inhibited with…
- 28IQ 1.51 Å, structure of InhA from Mycobacterium tuberculosis in complex with…
- 28IT 1.51 Å, structure of InhA from Mycobacterium tuberculosis in complex with…
- 5G0T 1.54 Å, InhA in complex with a DNA encoded library hit
- 28IP 1.59 Å, structure of InhA from Mycobacterium tuberculosis in complex with…
- 4OHU 1.6 Å, Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT92
- 8OTM 1.6 Å, structure of InhA from mycobacterium tuberculosis in complex with…
- 4TZK 1.62 Å, Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed WITH…
- 4U0J 1.62 Å, Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed with…
- 4D0S 1.64 Å, Mtb InhA complex with Pyradizinone compound 14
- 9RJK 1.66 Å, Structure of Mycobacterium tuberculosis InhA in complex with pyridomycin derivative…
- 28IR 1.69 Å, structure of InhA from Mycobacterium tuberculosis in complex with…
Browse structure collections
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