Structure of rat neuronal nitric oxide synthase R349A heme domain in complex with (6-(3-(4,4-difluoropiperidin-1-yl)propyl)-4-methylpyridin-2-amine). Determined by X-ray diffraction at 1.7 Å resolution. Released 13 Jul 2022.
Explore 7UAN in 3D Show helices and sheets RCSB PDB PDBe
7UAN contains 27 α-helices and 23 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 | 301-304 | 4 | 1 |
| β-strand | 305 | 1 | 2 |
| β-strand | 311-314 | 4 | 1 |
| α-helix | 316-319 | 4 | |
| α-helix | 354-368 | 15 | |
| α-helix | 375-391 | 17 | |
| α-helix | 398-410 | 13 | |
| α-helix | 418-420 | 3 | |
| β-strand | 425-428 | 4 | 3 |
| α-helix | 435-450 | 16 | |
| α-helix | 451-453 | 3 | |
| β-strand | 458-461 | 4 | 3 |
| α-helix | 462-465 | 4 | |
| β-strand | 473-474 | 2 | 4 |
| β-strand | 478 | 1 | 3 |
| β-strand | 482 | 1 | 5 |
| β-strand | 484-486 | 3 | 6 |
| β-strand | 492-494 | 3 | 6 |
| α-helix | 496-498 | 3 | |
| α-helix | 499-508 | 10 | |
| α-helix | 518 | 1 | |
| β-strand | 519 | 1 | 5 |
| α-helix | 520-521 | 2 | |
| β-strand | 522-525 | 4 | 4 |
| α-helix | 529-531 | 3 | |
| β-strand | 532-534 | 3 | 4 |
| α-helix | 535-537 | 3 | |
| α-helix | 538-540 | 3 | |
| β-strand | 543-545 | 3 | 7 |
| α-helix | 555-557 | 3 | |
| β-strand | 560-562 | 3 | 7 |
| β-strand | 566-567 | 2 | 3 |
| β-strand | 571-574 | 4 | 8 |
| β-strand | 577-579 | 3 | 8 |
| β-strand | 584-585 | 2 | 3 |
| β-strand | 588-589 | 2 | 9 |
| α-helix | 590-591 | 2 | |
| α-helix | 592-597 | 6 | |
| α-helix | 598-599 | 2 | |
| α-helix | 607-613 | 7 | |
| α-helix | 621-623 | 3 | |
| α-helix | 625-643 | 19 | |
| β-strand | 648-649 | 2 | 9 |
| α-helix | 651-669 | 19 | |
| α-helix | 676-679 | 4 | |
| α-helix | 685-687 | 3 | |
| α-helix | 689-692 | 4 | |
| β-strand | 693 | 1 | 2 |
| β-strand | 703-705 | 3 | 8 |
| α-helix | 710-713 | 4 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Nitric oxide synthase, brain | A | protein | 422 | Rattus norvegicus | P29476 (AlphaFold model) |
>7UAN_1 Nitric oxide synthase, brain (chains A) CPRFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPSQHTRKPEDVATKDQLFP LAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKHAWRNASRCV GRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTDGKHDFRVWN SQLIRYAGYKQPDGSTLGDPANVQFTEICIQQGWKAPRGRFDVLPLLLQANGNDPELFQI PPELVLEVPIRHPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVR DYCDNSRYNILEEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATE SFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQPDPWNTHVW KG
| ID | Name | Formula | Copies |
|---|---|---|---|
| M5L | 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine | C14 H21 F2 N3 | 1 |
| ZN | Zinc ion | Zn | 1 |
| H4B | 5,6,7,8-tetrahydrobiopterin | C9 H15 N5 O3 | 1 |
| HEM | Protoporphyrin IX containing FE | C34 H32 Fe N4 O4 | 1 |
Water and common crystallization additives (ACT) are not listed.
2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Vasu, D., Li, H., Hardy, C.D. et al. Bioorg Med Chem (2022) 69:116878-116878. DOI 10.1016/j.bmc.2022.116878 · PubMed
Other PDB entries of the same protein (UniProt P29476 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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