MolNFT v1 · #111488 · protein
Completely oxidized structure of copper nitrite reductase from alcaligenes faecalis
4YSC · Copper-containing nitrite reductase: “Completely oxidized structure of copper nitrite reductase from alcaligenes faecalis”. X-ray diffraction, 2 ligands (CU, CL), 10 pockets (best druggability 0.84). MolNFT v1 #111488 on GenesisL1…
- PDB
- 4YSC
- Type
- protein
- Length
- 1,007 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Copper-containing nitrite reductase
- EC
- 1.7.2.1
- UniProt
- P38501
- Ligands
- CU, CL
- Pockets
- 10 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Copper-containing nitrite reductase (EC 1.7.2.1) | protein | 336 | 12% helix, 41% strand | P38501 |
| C | Copper-containing nitrite reductase (EC 1.7.2.1) | protein | 335 | 11% helix, 41% strand | P38501 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 6 copies · chains A, C, B
- CL · Chloride ion · ion · 3 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 305 | 0.84 | 0.95 | 29 | empty |
| 2 | 539 | 0.79 | 0.86 | 60 | empty |
| 3 | 59 | 0.72 | 0.98 | 17 | empty |
| 4 | 52 | 0.71 | 0.98 | 17 | empty |
| 5 | 60 | 0.69 | 0.96 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2130 Ų buried · 30 hydrogen bonds · protein-protein
- B–C · 2119 Ų buried · 34 hydrogen bonds · protein-protein
- A–C · 2091 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 4YSC · Completely oxidized structure of copper nitrite reductase from Alcaligenes faecalis · 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 P38501
- Elsewhere: RCSB PDB 4YSC · PDBe 4YSC · UniProt P38501
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