Research workbench
Murine inducible nitric oxide synthase oxygenase domain (delta 114) (R)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4- yl)-pyrrolidine-2-carboxylic acid (2-BENZO[1,3]DIOXOL-5-yl- ethyl)-amide complex
Analyse Murine inducible nitric oxide synthase oxygenase domain (delta 114)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2ORO
- Type
- protein
- Length
- 313 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitric oxide synthase, inducible
- EC
- 1.14.13.39
- UniProt
- P29477
- Ligands
- HEM, 228, SO3
- Pockets
- 5 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitric oxide synthase, inducible (EC 1.14.13.39) | protein | 313 | 36% helix, 16% strand | P29477 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- 228 · N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl]-D-prolinamide · ligand · chains A
- SO3 · Sulfite ion · ion · 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 | 333 | 0.65 | 0.80 | 33 | HEM, 228 |
| 2 | 186 | 0.45 | 0.74 | 24 | empty |
| 3 | 67 | 0.42 | 0.81 | 19 | empty |
| 4 | 82 | 0.41 | 0.79 | 15 | empty |
| 5 | 132 | 0.40 | 0.75 | 24 | empty |
Compared structures
- 2ORO · Murine inducible nitric oxide synthase oxygenase domain (delta 114)… · 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 P29477
- Elsewhere: RCSB PDB 2ORO · PDBe 2ORO · UniProt P29477
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