MolNFT v1 · #183037 · protein
Dual specificity phosphatase from sulfolobales beppu filamentous virus 3
7NCY: “Dual specificity phosphatase from sulfolobales beppu filamentous virus 3”. X-ray diffraction, 1 ligand (NI), 1 pocket (best druggability 0.65). MolNFT v1 #183037 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7NCY
- Type
- protein
- Length
- 263 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dual specificity phosphatase
- UniProt
- A0A3Q8Q3X3
- Ligands
- NI
- Pockets
- 1 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dual specificity phosphatase | protein | 131 | 39% helix, 13% strand | A0A3Q8Q3X3 |
| B | Dual specificity phosphatase | protein | 132 | 40% helix, 13% strand | A0A3Q8Q3X3 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 472 | 0.65 | 0.78 | 45 | GOL |
Interfaces
1 interface between chains.
- A–B · 502 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 modified, 2 disulfide (engineered, disulfide).
Compared structures
- 7NCY · Dual specificity phosphatase from Sulfolobales Beppu filamentous virus 3 · 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 A0A3Q8Q3X3
- Elsewhere: RCSB PDB 7NCY · PDBe 7NCY · UniProt A0A3Q8Q3X3
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