MolNFT v1 · #54709 · protein
Cu metallated H254F mutant of nitrite reductase
2XXF · Dissimilatory copper-containing nitrite reductase: “Cu metallated H254F mutant of nitrite reductase”. X-ray diffraction, 2 ligands (ZN, CU), 3 pockets (best druggability 0.56). MolNFT v1 #54709 on GenesisL1: 3D structure, binding…
- PDB
- 2XXF
- Type
- protein
- Length
- 670 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dissimilatory copper-containing nitrite reductase
- UniProt
- O68601
- Ligands
- ZN, CU
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dissimilatory copper-containing nitrite reductase | protein | 335 | 11% helix, 39% strand | O68601 |
Ligands and binding sites
- ZN · Zinc ion · metal · 6 copies · chains A, B
- CU · Copper (II) ion · metal · 4 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 7 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 4 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · 2 copies · chains A, B
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 | 405 | 0.56 | 0.74 | 42 | MES |
| 2 | 92 | 0.41 | 0.78 | 16 | empty |
| 3 | 99 | 0.40 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 131 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2XXF · Cu metallated H254F mutant of nitrite reductase · 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 2XXF · PDBe 2XXF · UniProt O68601
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