MolNFT v1 · #41166 · protein
M144L mutant of nitrite reductase from alcaligenes xylosoxidans in space group P212121
2JFC · Dissimilatory copper-containing nitrite reductase: “M144L mutant of nitrite reductase from alcaligenes xylosoxidans in space group P212121”. X-ray diffraction, 2 ligands (CU, CL), 20 pockets (best druggability 0.84). MolNFT v1…
- PDB
- 2JFC
- Type
- protein
- Length
- 2,010 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dissimilatory copper-containing nitrite reductase
- EC
- 1.7.2.1
- UniProt
- O68601
- Ligands
- CU, CL
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Dissimilatory copper-containing nitrite reductase (EC 1.7.2.1) | protein | 335 | 10% helix, 43% strand | O68601 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 12 copies · chains A, E, B, F, C, D
- CL · Chloride ion · ion · 4 copies · chains A, B, C, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 318 | 0.84 | 0.95 | 31 | empty |
| 2 | 320 | 0.84 | 0.95 | 33 | empty |
| 3 | 350 | 0.77 | 0.88 | 49 | empty |
| 4 | 347 | 0.76 | 0.87 | 51 | empty |
| 5 | 748 | 0.74 | 0.79 | 95 | empty |
Interfaces
9 interfaces between chains.
- A–D · 2287 Ų buried · 41 hydrogen bonds · protein-protein
- B–C · 2287 Ų buried · 38 hydrogen bonds · protein-protein
- B–F · 2284 Ų buried · 40 hydrogen bonds · protein-protein
- D–E · 2276 Ų buried · 39 hydrogen bonds · protein-protein
- A–E · 2275 Ų buried · 40 hydrogen bonds · protein-protein
Compared structures
- 2JFC · M144L mutant of Nitrite Reductase from Alcaligenes xylosoxidans in space group P212121 · 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 O68601
- Elsewhere: RCSB PDB 2JFC · PDBe 2JFC · UniProt O68601
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.