Research workbench
No-heme complex in a bacterial nitric oxide synthase. an FE(III)-no may cause nitrosation.
Analyse No-heme complex in a bacterial nitric oxide synthase. an FE(III)-no may cause… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2FC2
- Type
- protein
- Length
- 724 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitric oxide synthase
- EC
- 1.14.13.39
- UniProt
- O34453
- Ligands
- HEM, HBI, HAR, NO
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Nitric oxide synthase (EC 1.14.13.39) | protein | 362 | 44% helix, 14% strand | O34453 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- HBI · 7,8-dihydrobiopterin · ligand · 2 copies · chains A, B
- HAR · N-omega-hydroxy-L-arginine · ligand · 2 copies · chains A, B
- NO · Nitric oxide · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 817 | 0.78 | 0.81 | 52 | HAR, NO, HBI, HEM |
| 2 | 788 | 0.78 | 0.81 | 55 | HEM, NO, HAR |
| 3 | 98 | 0.37 | 0.75 | 18 | empty |
| 4 | 87 | 0.34 | 0.74 | 16 | empty |
| 5 | 65 | 0.34 | 0.76 | 15 | empty |
Compared structures
- 2FC2 · NO-HEME complex in a bacterial nitric oxide synthase. An Fe(III)-NO may cause nitrosation. · the same entry in another collection · chain B against B, TM-score 1.00
- O34453 · AlphaFold monomer V2.0 prediction for nitric oxide synthase oxygenase (O34453) · 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 O34453
- Elsewhere: RCSB PDB 2FC2 · PDBe 2FC2 · UniProt O34453
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