Research workbench
Bovine enos N368D single mutant with L-N(OMEGA)-nitroarginine-(4R)- amino-L-proline amide bound
Analyse Bovine enos N368D single mutant with L-N(OMEGA)-nitroarginine-(4R)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ZZS
- Type
- protein
- Length
- 810 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitric-oxide synthase, endothelial
- EC
- 1.14.13.39
- UniProt
- P29473
- Ligands
- HEM, H4B, DP9, ZN
- Pockets
- 9 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitric-oxide synthase, endothelial (EC 1.14.13.39) | protein | 405 | 41% helix, 16% strand | P29473 |
| B | Nitric-oxide synthase, endothelial (EC 1.14.13.39) | protein | 405 | 41% helix, 16% strand | P29473 |
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
- DP9 · L-n(omega)-nitroarginine-(4R)-amino-L-proline amide · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · chains A, B
- ACT · Acetate ion · additive · 3 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1005 | 0.87 | 0.88 | 122 | ACT, HEM, H4B, DP9, GOL |
| 2 | 561 | 0.82 | 0.87 | 58 | ACT, HEM, H4B, DP9, GOL |
| 3 | 100 | 0.56 | 0.85 | 21 | empty |
| 4 | 97 | 0.55 | 0.85 | 19 | empty |
| 5 | 98 | 0.50 | 0.82 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 2839 Ų buried · 37 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (artifact).
Compared structures
- 1ZZS · Bovine eNOS N368D single mutant with L-N(omega)-Nitroarginine-(4R)-Amino-L-Proline Amide… · the same entry in another collection · chain A against A, TM-score 1.00
- P29473 · AlphaFold monomer V2.0 prediction for nitric oxide synthase, endothelial (P29473) · 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 P29473
- Elsewhere: RCSB PDB 1ZZS · PDBe 1ZZS · UniProt P29473
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