Research workbench
Human endothelial nitric oxide synthase with 6- nitroindazole bound
Analyse Human endothelial nitric oxide synthase with 6- nitroindazole bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1M9M
- Type
- protein
- Length
- 800 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endothelial nitric-oxide synthase
- EC
- 1.14.13.39
- UniProt
- P29474
- Ligands
- HEM, 6NI, ZN, NA
- Pockets
- 8 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Endothelial nitric-oxide synthase (EC 1.14.13.39) | protein | 400 | 41% helix, 16% strand | P29474 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- 6NI · 6-nitroindazole · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · chains A, B
- NA · Sodium ion · metal · chains A
- IPA · Isopropyl alcohol · additive · 3 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 3 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1022 | 0.85 | 0.86 | 86 | NA, HEM, 6NI, MPD |
| 2 | 1179 | 0.83 | 0.84 | 82 | MPD, HEM, 6NI, IPA |
| 3 | 97 | 0.72 | 0.94 | 22 | IPA |
| 4 | 92 | 0.55 | 0.85 | 19 | empty |
| 5 | 102 | 0.53 | 0.83 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 2610 Ų buried · 37 hydrogen bonds · protein-protein
Compared structures
- 1M9M · human endothelial nitric oxide synthase with 6-nitroindazole bound · 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 P29474
- Elsewhere: RCSB PDB 1M9M · PDBe 1M9M · UniProt P29474
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