Research workbench
Crystal structure of 2-nitropropane dioxygenase complexed with FMN and substrate
Analyse Crystal structure of 2-nitropropane dioxygenase complexed with FMN and substrate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2GJN
- Type
- protein
- Length
- 324 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein PA1024
- EC
- 1.13.11.32
- UniProt
- Q9I4V0
- Ligands
- FMN, NIS
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein PA1024 (EC 1.13.11.32) | protein | 324 | 48% helix, 15% strand | Q9I4V0 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 811 | 0.79 | 0.82 | 81 | FMN, NIS |
| 2 | 65 | 0.34 | 0.76 | 20 | empty |
| 3 | 53 | 0.28 | 0.74 | 13 | empty |
Compared structures
- 2GJN · crystal structure of 2-nitropropane dioxygenase complexed with FMN and substrate · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I4V0 · AlphaFold monomer V2.0 prediction for NADH:QUINONE reductase (Q9I4V0) · a predicted model of the same protein · chain A 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 Q9I4V0
- Elsewhere: RCSB PDB 2GJN · PDBe 2GJN · UniProt Q9I4V0
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