MolNFT v1 · #72078 · protein
Crystal structure of nitrososynthase from micromonospora carbonacea var. africana
3MXL: “Crystal structure of nitrososynthase from micromonospora carbonacea var. africana”. X-ray diffraction, 20 pockets (best druggability 0.83). MolNFT v1 #72078 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3MXL
- Type
- protein
- Length
- 1,524 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitrososynthase
- UniProt
- B5APQ9
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 56% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitrososynthase | protein | 394 | 56% helix, 12% strand | B5APQ9 |
| B | Nitrososynthase | protein | 370 | 58% helix, 8% strand | B5APQ9 |
| C | Nitrososynthase | protein | 369 | 57% helix, 8% strand | B5APQ9 |
| D | Nitrososynthase | protein | 391 | 54% helix, 14% strand | B5APQ9 |
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1196 | 0.83 | 0.84 | 107 | empty |
| 2 | 895 | 0.82 | 0.83 | 91 | empty |
| 3 | 1110 | 0.79 | 0.81 | 100 | empty |
| 4 | 1179 | 0.77 | 0.79 | 102 | empty |
| 5 | 1069 | 0.77 | 0.79 | 99 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1664 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 1632 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 1505 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 1479 Ų buried · 19 hydrogen bonds · protein-protein
- B–C · 115 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3MXL · Crystal structure of nitrososynthase from Micromonospora carbonacea var. africana · 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 B5APQ9
- Elsewhere: RCSB PDB 3MXL · PDBe 3MXL · UniProt B5APQ9
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