Research workbench
Human endothelial nitric oxide synthase with arginine substrate
Analyse Human endothelial nitric oxide synthase with arginine substrate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3NOS
- Type
- protein
- Length
- 800 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endothelial nitric-oxide synthase
- EC
- 1.14.13.39
- UniProt
- P29474
- Ligands
- HAR, HEM, H4B, ZN
- Pockets
- 10 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Endothelial nitric-oxide synthase (EC 1.14.13.39) | protein | 400 | 40% helix, 16% strand | P29474 |
Ligands and binding sites
- HAR · N-omega-hydroxy-L-arginine · ligand · 2 copies · chains A, B
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- H4B · 5,6,7,8-tetrahydrobiopterin · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1150 | 0.84 | 0.85 | 94 | HAR, HEM, H4B |
| 2 | 1165 | 0.82 | 0.83 | 80 | HAR, HEM, H4B |
| 3 | 128 | 0.77 | 0.96 | 35 | empty |
| 4 | 102 | 0.53 | 0.83 | 19 | empty |
| 5 | 89 | 0.51 | 0.83 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2767 Ų buried · 43 hydrogen bonds · protein-protein
Compared structures
- 3NOS · Human endothelial nitric oxide synthase with arginine substrate · the same entry in another collection · chain A against A, TM-score 1.00
- P29474 · AlphaFold monomer V2.0 prediction for nitric oxide synthase, endothelial (P29474) · a predicted model of the same protein · chain A 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 P29474
- Elsewhere: RCSB PDB 3NOS · PDBe 3NOS · UniProt P29474
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