MolNFT v1 · #14755 · protein
Crystal structure of sanos, a bacterial nitric oxide synthase oxygenase protein, in complex with NAD+ and seitu
1MJT · Nitric-oxide synthase homolog: “Crystal structure of sanos, a bacterial nitric oxide synthase oxygenase protein, in complex with NAD+ and…”. X-ray diffraction, 5 ligands (HEM, NAD, ITU), 8 pockets (best druggability 0.79). MolNFT v1…
- PDB
- 1MJT
- Type
- protein
- Length
- 693 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitric-oxide synthase homolog
- EC
- 1.14.13.39
- UniProt
- P0A004
- Ligands
- HEM, NAD, ITU, GLC, FRU
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitric-oxide synthase homolog (EC 1.14.13.39) | protein | 346 | 46% helix, 14% strand | P0A004 |
| B | Nitric-oxide synthase homolog (EC 1.14.13.39) | protein | 347 | 46% helix, 16% strand | P0A004 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- ITU · Ethylisothiourea · ligand · 2 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B
- FRU · beta-D-fructofuranose · sugar · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 807 | 0.79 | 0.82 | 62 | HEM, NAD, ITU |
| 2 | 754 | 0.79 | 0.82 | 54 | NAD, HEM, ITU |
| 3 | 92 | 0.39 | 0.76 | 19 | empty |
| 4 | 96 | 0.38 | 0.76 | 20 | empty |
| 5 | 75 | 0.36 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1539 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 1MJT · Crystal structure of sanos, a bacterial nitric oxide synthase oxygenase protein, in… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A004 · AlphaFold monomer V2.0 prediction for nitric oxide synthase oxygenase (P0A004) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 P0A004
- Elsewhere: RCSB PDB 1MJT · PDBe 1MJT · UniProt P0A004
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