Research workbench
Structure of rat nnos heme domain (BH4 bound) in the reduced form
Analyse Structure of rat nnos heme domain (BH4 bound) in the reduced form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2G6H
- 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, ARG, ZN
- Pockets
- 13 · best druggability 0.86
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 | 41% helix, 14% strand | P29476 |
| B | Nitric-oxide synthase, brain (EC 1.14.13.39) | protein | 411 | 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
- ARG · Arginine · 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
13 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1045 | 0.86 | 0.87 | 103 | ACT, HEM, H4B, ARG |
| 2 | 1117 | 0.84 | 0.84 | 81 | ACT, HEM, H4B, ARG |
| 3 | 50 | 0.42 | 0.83 | 14 | empty |
| 4 | 102 | 0.40 | 0.77 | 19 | empty |
| 5 | 69 | 0.39 | 0.79 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2734 Ų buried · 44 hydrogen bonds · protein-protein
Compared structures
- 2G6H · Structure of rat nNOS heme domain (BH4 bound) in the reduced form · 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 2G6H · PDBe 2G6H · UniProt P29476
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