MolNFT v1 · #92064 · protein
Structure of rat nnos heme domain in complex with N(OMEGA)-methyl- N(OMEGA)-methoxy-L-arginine
4FVZ · Nitric oxide synthase, brain: “Structure of rat nnos heme domain in complex with N(OMEGA)-methyl- N(OMEGA)-methoxy-L-arginine”. X-ray diffraction, 4 ligands (HEM, H4B, 4KJ), 11 pockets (best druggability 0.84). MolNFT v1 #92064 on…
- PDB
- 4FVZ
- Type
- protein
- Length
- 818 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, 4KJ, ZN
- Pockets
- 11 · best druggability 0.84
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 | 407 | 42% helix, 15% strand | P29476 |
| B | Nitric oxide synthase, brain (EC 1.14.13.39) | protein | 411 | 41% helix, 16% 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
- 4KJ · (5E)-5-[(N-methoxy-N-methylcarbamimidoyl)imino]-L-norvaline · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 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
11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1165 | 0.84 | 0.85 | 105 | HEM, H4B, ACT, 4KJ |
| 2 | 1166 | 0.84 | 0.85 | 91 | HEM, H4B, 4KJ, ACT |
| 3 | 138 | 0.47 | 0.78 | 25 | empty |
| 4 | 126 | 0.45 | 0.77 | 24 | empty |
| 5 | 137 | 0.45 | 0.76 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 2778 Ų buried · 40 hydrogen bonds · protein-protein
Compared structures
- 4FVZ · Structure of rat nNOS heme domain in complex with N(omega)-methyl… · the same entry in another collection · chain B against B, 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 4FVZ · PDBe 4FVZ · UniProt P29476
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