MolNFT v1 · #15370 · protein
Crystal structure of cyanide complex of the oxygenase domain of inducible nitric oxide synthase.
1N2N: “Crystal structure of cyanide complex of the oxygenase domain of inducible nitric oxide synthase.”. X-ray diffraction, 5 ligands (HEM, H4B, ARG), 8 pockets (best druggability 0.80). MolNFT v1 #15370 on GenesisL1: 3D structure…
- PDB
- 1N2N
- Type
- protein
- Length
- 838 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inducible nitric oxide synthase
- EC
- 1.14.13.39
- UniProt
- P29477
- Ligands
- HEM, H4B, ARG, ZN, CYN
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Inducible nitric oxide synthase (EC 1.14.13.39) | protein | 419 | 39% helix, 15% strand | P29477 |
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
- ARG · Arginine · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- CYN · Cyanide ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 977 | 0.80 | 0.81 | 68 | HEM, H4B, ARG |
| 2 | 985 | 0.80 | 0.81 | 68 | CYN, HEM, H4B, ARG |
| 3 | 290 | 0.58 | 0.77 | 29 | empty |
| 4 | 76 | 0.51 | 0.85 | 16 | empty |
| 5 | 155 | 0.45 | 0.76 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 152 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1N2N · Crystal structure of cyanide complex of the oxygenase domain of inducible nitric oxide… · the same entry in another collection · chain A against A, TM-score 1.00
- P29477 · AlphaFold monomer V2.0 prediction for nitric oxide synthase, inducible (P29477) · 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 P29477
- Elsewhere: RCSB PDB 1N2N · PDBe 1N2N · UniProt P29477
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.