MolNFT v1 · #170419 · protein
Pseudomonas stutzeri nitrous oxide reductase mutant, H130A
6Y71 · Nitrous-oxide reductase: “Pseudomonas stutzeri nitrous oxide reductase mutant, H130A”. X-ray diffraction, 4 ligands (CUA, NA, CA), 5 pockets (best druggability 0.79). MolNFT v1 #170419 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6Y71
- Type
- protein
- Length
- 1,172 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitrous-oxide reductase
- EC
- 1.7.2.4
- UniProt
- P19573
- Ligands
- CUA, NA, CA, CL
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 12% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitrous-oxide reductase (EC 1.7.2.4) | protein | 584 | 11% helix, 41% strand | P19573 |
| B | Nitrous-oxide reductase (EC 1.7.2.4) | protein | 588 | 12% helix, 41% strand | P19573 |
Ligands and binding sites
- CUA · Dinuclear copper ion · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- FMT · Formic acid · additive · 3 copies · chains A, B
- B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 300 | 0.79 | 0.90 | 41 | empty |
| 2 | 145 | 0.43 | 0.75 | 22 | empty |
| 3 | 155 | 0.42 | 0.74 | 22 | empty |
| 4 | 79 | 0.31 | 0.73 | 19 | B3P, FMT |
| 5 | 68 | 0.30 | 0.73 | 16 | B3P |
Interfaces
1 interface between chains.
- A–B · 5810 Ų buried · 70 hydrogen bonds · protein-protein
Compared structures
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 P19573
- Elsewhere: RCSB PDB 6Y71 · PDBe 6Y71 · UniProt P19573
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