UniProt P9WGR0
P9WGR0
P9WGR0 (UniProt P9WGR0): 18 experimental structures and 1 predicted model on GenesisL1, 8 ligands bound. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P9WGR0
- Experimental structures
- 18
- Predicted models
- 1
- Ligands
- 8
Structures
19 records of P9WGR0 in the MolNFT archive: 18 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4D0R | Mtb InhA complex with Pyradizi compound 1 | x-ray diffraction | A | — | — |
| 4D0R | Mtb inha complex with pyradizinone compound 1 | x-ray diffraction | A | — | — |
| 4D0S | Mtb InhA complex with Pyradizi compound 14 | x-ray diffraction | A, B, C, D | — | — |
| 4D0S | Mtb inha complex with pyradizinone compound 14 | x-ray diffraction | A, B, C, D | — | — |
| 4TRJ | Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed with… | x-ray diffraction | A | — | — |
| 4TRJ | Crystal structure of mycobacterium tuberculosis enoyl reductase (inha) complexed with… | x-ray diffraction | A | — | — |
| 4TRM | Structure of the apo form of InhA from Mycobacterium tuberculosis | x-ray diffraction | A, B, C, D, E, F | — | — |
| 4TRM | Structure of the apo form of inha from mycobacterium tuberculosis | x-ray diffraction | A, B, C, D, E, F | — | — |
| 4TRN | Structure of inha from mycobacterium tuberculosis complexed to NADH | x-ray diffraction | A | — | — |
| 4TRN | Structure of inha from mycobacterium tuberculosis complexed to NADH | x-ray diffraction | A | — | — |
| 5CPF | Compensation of the effect of isoleucine to alanine mutation by designed inhibition in the inha… | x-ray diffraction | A, B, C, D | — | — |
| 5MTP | Crystal structure of M. tuberculosis inha inhibited by PT514 | x-ray diffraction | A, B, E, G, C, D, F, H | NAD, 53K, CL, NA | — |
| 5VRL | Crystal structure of the inha from mycobacterium tuberculosis in complex with AN12855, ebsi 4333. | x-ray diffraction | A | 9JA | — |
| 5VRM | Crystal structure of the inha from mycobacterium tuberculosis in complex with AN12855, ebsi 4333. | x-ray diffraction | A, B, C, D | 9JJ | — |
| 5VRM | Crystal structure of the inha from mycobacterium tuberculosis in complex with AN12855, ebsi 4333. | x-ray diffraction | A, B, C, D | 9JJ | — |
| 5VRN | Crystal structure of the inha from mycobacterium tuberculosis in complex with AN12855, ebsi 4333. | x-ray diffraction | A, B, C, D, E, F | 9JM | — |
| 5W07 | Crystal structure of the inha from mycobacterium tuberculosis in complex with AN12855, ebsi 4333. | x-ray diffraction | A | 9JA | — |
| 6YUU | Crystal structure of M. tuberculosis inha inhibited by SKTS1 | x-ray diffraction | A | NAD, F9T, CL, NA | — |
| P9WGR0 | AlphaFold monomer V2.0 prediction for enoyl-[acyl-carrier-protein] reductase [NADH] (P9WGR0) | predicted | A | — | — |
Ligands
- 9JA · (~{N}~{E})-~{N}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$L^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl) phenyl]methylidene]hydroxylamine · in 2 records
- 9JJ · [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate · in 2 records
- CL · Chloride ion · in 2 records
- NA · Sodium ion · in 2 records
- NAD · Nicotinamide-adenine-dinucleotide · in 2 records
- 53K · 2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol · in 1 record
- 9JM · [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2, 1$L^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R}, 5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate · in 1 record
- F9T · 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol · in 1 record
Experiment against prediction
- 5VRM chain C against the predicted model P9WGR0: TM-score 0.99, RMSD 0.54 Å
- 5VRM chain C against the predicted model P9WGR0: TM-score 0.99, RMSD 0.54 Å
- 5VRM chain B against the predicted model P9WGR0: TM-score 0.99, RMSD 0.57 Å
- 5VRM chain B against the predicted model P9WGR0: TM-score 0.99, RMSD 0.57 Å
- 5VRN chain D against the predicted model P9WGR0: TM-score 0.99, RMSD 0.65 Å
- 4D0S chain B against the predicted model P9WGR0: TM-score 0.99, RMSD 0.77 Å
- 4D0S chain B against the predicted model P9WGR0: TM-score 0.99, RMSD 0.77 Å
- 5MTP chain G against the predicted model P9WGR0: TM-score 0.99, RMSD 0.80 Å
- 5MTP chain F against the predicted model P9WGR0: TM-score 0.98, RMSD 0.84 Å
- 4TRM chain D against the predicted model P9WGR0: TM-score 0.98, RMSD 0.89 Å
Elsewhere
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.