MolNFT v1 · #169687 · protein
Nitric oxide synthase from bacillus subtilis in complex with 7-((3-(2- (6-aminopyridin-2-YL)ETHYL)PHENOXY)METHYL)QUINOLIN-2-amine
6XK7 · Nitric oxide synthase oxygenase: “Nitric oxide synthase from bacillus subtilis in complex with 7-((3-(2…”. X-ray diffraction, 3 ligands (HEM, V5G, CL), 5 pockets (best druggability 0.78). MolNFT v1 #169687 on GenesisL1: 3D…
- PDB
- 6XK7
- Type
- protein
- Length
- 362 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitric oxide synthase oxygenase
- EC
- 1.14.14.47
- UniProt
- O34453
- Ligands
- HEM, V5G, CL
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitric oxide synthase oxygenase (EC 1.14.14.47) | protein | 362 | 45% helix, 15% strand | O34453 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- V5G · 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl) quinolin-2-amine · ligand · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 3 copies · chains A
- POL · N-propanol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 735 | 0.78 | 0.82 | 53 | HEM, V5G, CL, GOL |
| 2 | 68 | 0.43 | 0.81 | 23 | empty |
| 3 | 77 | 0.40 | 0.78 | 20 | empty |
| 4 | 59 | 0.36 | 0.78 | 15 | empty |
| 5 | 57 | 0.31 | 0.76 | 12 | empty |
Compared structures
- 6XK7 · Nitric Oxide Synthase from Bacillus subtilis in complex with… · the same entry in another collection · 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 O34453
- Elsewhere: RCSB PDB 6XK7 · PDBe 6XK7 · UniProt O34453
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