Research workbench
Ternary structure of neuronal nitric oxide synthase with nha and no BOUND(2)
Analyse Ternary structure of neuronal nitric oxide synthase with nha and no BOUND(2) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3HSP
- Type
- protein
- Length
- 825 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
- HEM, H4B, HAR, ZN, NO
- Pockets
- 9 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitric oxide synthase, brain (EC 1.14.13.39) | protein | 412 | 41% helix, 14% strand | P29476 |
| B | Nitric oxide synthase, brain (EC 1.14.13.39) | protein | 413 | 41% helix, 15% strand | P29476 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- H4B · 5,6,7,8-tetrahydrobiopterin · ligand · 2 copies · chains A, B
- HAR · N-omega-hydroxy-L-arginine · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · chains A, B
- NO · Nitric oxide · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 5 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1001 | 0.85 | 0.86 | 88 | HEM, NO, H4B, HAR, ACT, GOL |
| 2 | 1164 | 0.84 | 0.84 | 88 | HEM, NO, H4B, HAR, ACT |
| 3 | 227 | 0.54 | 0.77 | 41 | empty |
| 4 | 115 | 0.43 | 0.77 | 19 | empty |
| 5 | 87 | 0.37 | 0.76 | 16 | GOL |
Interfaces
1 interface between chains.
- A–B · 2765 Ų buried · 43 hydrogen bonds · protein-protein
Compared structures
- 3HSP · Ternary structure of neuronal nitric oxide synthase with NHA and NO bound(2) · the same entry in another collection · chain A against A, TM-score 1.00
- P29476 · AlphaFold monomer V2.0 prediction for nitric oxide synthase, brain (P29476) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 3HSP · PDBe 3HSP · UniProt P29476
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