Research workbench
Rat neuronal nitric oxide synthase oxygenase domain complexed with natural substrate L-arg.
Analyse Rat neuronal nitric oxide synthase oxygenase domain complexed with natural… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ZVL
- Type
- protein
- Length
- 840 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, ARG, ZN
- Pockets
- 12 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Nitric-oxide synthase, brain (EC 1.14.13.39) | protein | 420 | 39% 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
- ARG · Arginine · 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
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1036 | 0.87 | 0.88 | 96 | HEM, H4B, ARG |
| 2 | 1185 | 0.84 | 0.85 | 98 | HEM, H4B, ARG |
| 3 | 151 | 0.56 | 0.82 | 25 | empty |
| 4 | 179 | 0.56 | 0.80 | 21 | empty |
| 5 | 192 | 0.49 | 0.76 | 32 | empty |
Interfaces
1 interface between chains.
- A–B · 2705 Ų buried · 46 hydrogen bonds · protein-protein
Compared structures
- 1ZVL · Rat Neuronal Nitric Oxide Synthase Oxygenase Domain complexed with natural substrate… · 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 A against A, TM-score 0.98
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 1ZVL · PDBe 1ZVL · UniProt P29476
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