MolNFT v1 · #22962 · protein
Crystal structure of rat neuronal nitric-oxide synthase reductase module at 2.3 a resolution.
1TLL · Nitric-oxide synthase, brain: “Crystal structure of rat neuronal nitric-oxide synthase reductase module at 2.3 a resolution.”. X-ray diffraction, 4 ligands (FMN, FAD, NAP), 14 pockets (best druggability 0.86). MolNFT v1 #22962 on…
- PDB
- 1TLL
- Type
- protein
- Length
- 1,246 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitric-oxide synthase, brain
- EC
- 1.14.13.39
- UniProt
- P29476
- Ligands
- FMN, FAD, NAP, SO3
- Pockets
- 14 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitric-oxide synthase, brain (EC 1.14.13.39) | protein | 630 | 36% helix, 22% strand | P29476 |
| B | Nitric-oxide synthase, brain (EC 1.14.13.39) | protein | 616 | 37% helix, 23% strand | P29476 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- SO3 · Sulfite ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 670 | 0.86 | 0.90 | 79 | empty |
| 2 | 1102 | 0.86 | 0.87 | 158 | FMN, FAD, NAP |
| 3 | 555 | 0.81 | 0.87 | 53 | empty |
| 4 | 212 | 0.75 | 0.90 | 43 | NAP |
| 5 | 158 | 0.72 | 0.90 | 43 | empty |
Interfaces
1 interface between chains.
- A–B · 1917 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 1TLL · Crystal structure of rat neuronal nitric-oxide synthase reductase module at 2.3 a… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P29476
- Elsewhere: RCSB PDB 1TLL · PDBe 1TLL · UniProt P29476
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