UniProt P29476
Nitric oxide synthase, brain (P29476)
Nitric oxide synthase, brain (UniProt P29476), EC 1.14.13.39: 564 experimental structures and 1 predicted model on GenesisL1, 98 ligands bound, 425 pockets. Binding sites, druggability and experiment against prediction (TM-score)…
- UniProt
- P29476
- Protein
- Nitric oxide synthase, brain
- EC
- 1.14.13.39
- Experimental structures
- 564
- Predicted models
- 1
- Ligands
- 98
- Pockets
- 425 · 43 records with a druggable one
Structures
565 records of P29476 in the MolNFT archive: 564 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1B8Q | Solution structure of the extended neuronal nitric oxide synthase PDZ domain complexed with an… | solution nmr | A | — | — |
| 1B8Q | Solution structure of the extended neuronal nitric oxide synthase PDZ domain complexed with an… | solution nmr | A | — | — |
| 1F20 | Crystal structure of rat neuronal nitric-oxide synthase FAD/NADP+ domain at 1.9A resolution. | x-ray diffraction | A | — | — |
| 1F20 | Crystal structure of rat neuronal nitric-oxide synthase FAD/NADP+ domain at 1.9A resolution. | x-ray diffraction | A | — | — |
| 1K2R | Structure of rat brain nNOS heme domain complexed with NG-nitro-L-arginine | x-ray diffraction | A, B | — | — |
| 1K2R | Structure of rat brain nnos heme domain complexed with ng- nitro-L-arginine | x-ray diffraction | A, B | — | — |
| 1K2S | Structure of rat brain nNOS heme domain complexed with NG-allyl-L-arginine | x-ray diffraction | A, B | — | — |
| 1K2S | Structure of rat brain nnos heme domain complexed with ng- allyl-L-arginine | x-ray diffraction | A, B | — | — |
| 1K2T | Structure of rat brain nNOS heme domain complexed with S-ethyl-N-phenyl-isothiourea | x-ray diffraction | A, B | — | — |
| 1K2T | Structure of rat brain nnos heme domain complexed with S- ethyl-N-phenyl-isothiourea | x-ray diffraction | A, B | — | — |
| 1K2U | Structure of rat brain nNOS heme domain complexed with S-ethyl-N-[4-(trifluoromethyl)phenyl]… | x-ray diffraction | A, B | — | — |
| 1K2U | Structure of rat brain nnos heme domain complexed with S- ethyl-N-[4-(TRIFLUOROMETHYL)PHENYL]… | x-ray diffraction | A, B | — | — |
| 1LZX | Rat neuronal NOS heme domain with NG-hydroxy-L-arginine bound | x-ray diffraction | A, B | — | — |
| 1LZX | Rat neuronal nos heme domain with ng-hydroxy-L-arginine bound | x-ray diffraction | A, B | — | — |
| 1LZZ | Rat neuronal NOS heme domain with N-isopropyl-N'-hydroxyguanidine bound | x-ray diffraction | A, B | — | — |
| 1LZZ | Rat neuronal nos heme domain with N-isopropyl-N'-hydroxyguanidine bound | x-ray diffraction | A, B | — | — |
| 1M00 | Rat neuronal NOS heme domain with N-butyl-N'-hydroxyguanidine bound | x-ray diffraction | A, B | — | — |
| 1M00 | Rat neuronal nos heme domain with N-butyl-N'-hydroxyguanidine bound | x-ray diffraction | A, B | — | — |
| 1MMV | Rat neuronal NOS heme domain with NG-propyl-L-arginine bound | x-ray diffraction | A, B | — | — |
| 1MMV | Rat neuronal nos heme domain with ng-propyl-L-arginine bound | x-ray diffraction | A, B | — | — |
| 1MMW | Rat neuronal NOS heme domain with vinyl-L-NIO bound | x-ray diffraction | A, B | — | — |
| 1MMW | Rat neuronal nos heme domain with vinyl-L-nio bound | x-ray diffraction | A, B | — | — |
| 1OM4 | Structure of rat neuronal nos heme domain with L-arginine bound | x-ray diffraction | A, B | — | — |
| 1OM4 | Structure of rat neuronal nos heme domain with L-arginine bound | x-ray diffraction | A, B | — | — |
| 1OM5 | Structure of rat neuronal nos heme domain with 3-bromo-7-nitroindazole bound | x-ray diffraction | A, B | — | — |
| 1OM5 | Structure of rat neuronal nos heme domain with 3-bromo-7- nitroindazole bound | x-ray diffraction | A, B | — | — |
| 1P6H | Rat neuronal NOS heme domain with L-N(omega)-nitroarginine-2,4-L-diaminobutyric amide bound | x-ray diffraction | A, B | — | — |
| 1P6H | Rat neuronal nos heme domain with L-N(OMEGA)-nitroarginine- 2,4-L-diaminobutyric amide bound | x-ray diffraction | A, B | — | — |
| 1P6I | Rat neuronal NOS heme domain with (4S)-N-(4-amino-5-[aminoethyl]aminopentyl)-N'-nitroguanidine bound | x-ray diffraction | A, B | — | — |
| 1P6I | Rat neuronal nos heme domain with (4S)-N-(4-amino-5- [AMINOETHYL]AMINOPENTYL)-N'-nitroguanidine… | x-ray diffraction | A, B | — | — |
| 1P6J | Rat neuronal NOS heme domain with L-N(omega)-nitroarginine-(4R)-amino-L-proline amide bound | x-ray diffraction | A, B | — | — |
| 1P6J | Rat neuronal nos heme domain with L-N(OMEGA)-nitroarginine-(4R)-amino- L-proline amide bound | x-ray diffraction | A, B | — | — |
| 1P6K | Rat neuronal NOS D597N mutant heme domain with L-N(omega)-nitroarginine-2,4-L-diaminobutyric amide… | x-ray diffraction | A, B | — | — |
| 1P6K | Rat neuronal nos D597N mutant heme domain with L-N(OMEGA)- nitroarginine-2,4-L-diaminobutyric amide… | x-ray diffraction | A, B | — | — |
| 1QAU | Unexpected modes of PDZ domain scaffolding revealed by structure of nnos-syntrophin complex | x-ray diffraction | A | — | — |
| 1QAU | Unexpected modes of PDZ domain scaffolding revealed by structure of nnos-syntrophin complex | x-ray diffraction | A | — | — |
| 1QAV | Unexpected Modes of PDZ Domain Scaffolding Revealed by Structure of NNOS-Syntrophin Complex | x-ray diffraction | B | — | — |
| 1QAV | Unexpected modes of PDZ domain scaffolding revealed by structure of nnos-syntrophin complex | x-ray diffraction | B | — | — |
| 1QW6 | Rat neuronal nitric oxide synthase oxygenase domain in complex with N-omega-propyl-L-Arg. | x-ray diffraction | A | — | — |
| 1QW6 | Rat neuronal nitric oxide synthase oxygenase domain in complex with N- omega-propyl-L-arg. | x-ray diffraction | A | — | — |
| 1QWC | Rat neuronal nitric oxide synthase oxygenase domain in complex with W1400 inhibitor. | x-ray diffraction | A | — | — |
| 1QWC | Rat neuronal nitric oxide synthase oxygenase domain in complex with W1400 inhibitor. | x-ray diffraction | A | — | — |
| 1RS6 | Rat neuronal NOS heme domain with D-lysine-D-nitroarginine amide bound | x-ray diffraction | A, B | — | — |
| 1RS6 | Rat neuronal nos heme domain with D-lysine-D-nitroarginine amide bound | x-ray diffraction | A, B | — | — |
| 1RS7 | Rat neuronal NOS heme domain with D-phenylalanine-D-nitroarginine amide bound | x-ray diffraction | A, B | — | — |
| 1RS7 | Rat neuronal nos heme domain with D-phenylalanine-D-nitroarginine amide bound | x-ray diffraction | A, B | — | — |
| 1TLL | Crystal structure of rat neuronal nitric-oxide synthase reductase module at 2.3 a resolution. | x-ray diffraction | A, B | — | — |
| 1TLL | Crystal structure of rat neuronal nitric-oxide synthase reductase module at 2.3 a resolution. | x-ray diffraction | A, B | — | — |
| 1VAG | Neuronal nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477 | x-ray diffraction | A | — | — |
| 1VAG | Neuronal nitric oxide synthase oxygenase domain complexed with the inhibitor ar-R17477 | x-ray diffraction | A | — | — |
| 1ZVI | Rat Neuronal Nitric Oxide Synthase Oxygenase Domain | x-ray diffraction | A | — | — |
| 1ZVI | Rat neuronal nitric oxide synthase oxygenase domain | x-ray diffraction | A | — | — |
| 1ZVL | Rat Neuronal Nitric Oxide Synthase Oxygenase Domain complexed with natural substrate L-Arg. | x-ray diffraction | A, B | — | — |
| 1ZVL | Rat neuronal nitric oxide synthase oxygenase domain complexed with natural substrate L-arg. | x-ray diffraction | A, B | — | — |
| 1ZZQ | Rat nNOS D597N mutant with L-N(omega)-Nitroarginine-(4R)-amino-L-proline amide bound | x-ray diffraction | A, B | — | — |
| 1ZZQ | Rat nnos D597N mutant with L-N(OMEGA)-nitroarginine-(4R)-amino-L- proline amide bound | x-ray diffraction | A, B | — | — |
| 1ZZR | Rat nNOS D597N/M336V double mutant with L-N(omega)-Nitroarginine-(4R)-amino-L-proline amide bound | x-ray diffraction | A, B | — | — |
| 1ZZR | Rat nnos D597N/M336V double mutant with L-N(OMEGA)-nitroarginine-(4R)- amino-L-proline amide bound | x-ray diffraction | A, B | — | — |
| 1ZZU | Rat nNOS D597N/M336V double mutant with L-N(omega)-Nitroarginine-2,4-L-Diaminobutyric Amide Bound | x-ray diffraction | A, B | — | — |
| 1ZZU | Rat nnos D597N/M336V double mutant with L-N(OMEGA)-nitroarginine-2,4- L-diaminobutyric amide bound | x-ray diffraction | A, B | — | — |
505 records more on the page itself.
Ligands
- H4B · 5,6,7,8-tetrahydrobiopterin · in 125 records
- HEM · Protoporphyrin IX containing Fe · in 125 records
- ZN · Zinc ion · in 125 records
- MTL · D-mannitol · in 5 records
- M4R · 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile · in 3 records
- 8EV · 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile · in 2 records
- 8F1 · 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile · in 2 records
- 8F7 · 3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-[(methylamino)methyl]benzonitrile · in 2 records
- 8FD · 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile · in 2 records
- 8J4 · 7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl) quinolin-2-amine · in 2 records
- 8J7 · 4-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl) quinolin-2-amine · in 2 records
- 9OM · 7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl) quinolin-2-amine · in 2 records
- 9P4 · 7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl) quinolin-2-amine · in 2 records
- BY7 · 6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl) phenyl}ethyl)-4-methylpyridin-2-amine · in 2 records
- BYJ · 4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl) pyridin-2-amine · in 2 records
- CL · Chloride ion · in 2 records
- KKY · 6-[2-(3-fluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine · in 2 records
- KLA · 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine · in 2 records
- KLY · 6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine · in 2 records
- KMA · 6-[2-(3-fluoro-5-{2-[(2R)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine · in 2 records
- KMJ · 6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine · in 2 records
- KMR · 4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine · in 2 records
- KMS · 6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine · in 2 records
- KMV · 6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine · in 2 records
- KN4 · 6-[2-(2,3-difluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine · in 2 records
- KND · 6-[2-(2,3-difluoro-5-{2-[(3S)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine · in 2 records
- M62 · 7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine · in 2 records
- OS7 · 7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine · in 2 records
- OSD · 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine · in 2 records
- OT4 · 7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine · in 2 records
Experiment against prediction
- 5FVR chain B against the predicted model P29476: TM-score 0.99, RMSD 0.70 Å
- 6AUR chain B against the predicted model P29476: TM-score 0.99, RMSD 0.70 Å
- 1LZZ chain B against the predicted model P29476: TM-score 0.99, RMSD 0.71 Å
- 6AUR chain A against the predicted model P29476: TM-score 0.99, RMSD 0.71 Å
- 8FGC chain B against the predicted model P29476: TM-score 0.99, RMSD 0.71 Å
- 5FVR chain A against the predicted model P29476: TM-score 0.99, RMSD 0.71 Å
- 5G0N chain B against the predicted model P29476: TM-score 0.99, RMSD 0.72 Å
- 3DQR chain B against the predicted model P29476: TM-score 0.99, RMSD 0.72 Å
- 5AGN chain B against the predicted model P29476: TM-score 0.99, RMSD 0.72 Å
- 5VUN chain B against the predicted model P29476: TM-score 0.99, RMSD 0.72 Å
Elsewhere
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