Research workbench
Crystal structure of cyanide complex of the oxygenase domain of inducible nitric oxide synthase.
Analyse Crystal structure of cyanide complex of the oxygenase domain of inducible… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 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
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