MolNFT v1 · #11955 · protein
Structure of a nudix protein from pyrobaculum aerophilum solved by the single wavelength anomolous scattering method
1K26 · Nudix homolog: “Structure of a nudix protein from pyrobaculum aerophilum solved by the single wavelength anomolous scattering…”. X-ray diffraction, 3 ligands (IR3, NI, SO4), 4 pockets (best druggability 0.64). MolNFT v1 #11955 on…
- PDB
- 1K26
- Type
- protein
- Length
- 297 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nudix homolog
- UniProt
- Q8ZTD8
- Ligands
- IR3, NI, SO4
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nudix homolog | protein | 150 | 29% helix, 39% strand | Q8ZTD8 |
| B | Nudix homolog | protein | 147 | 20% helix, 40% strand | Q8ZTD8 |
Ligands and binding sites
- IR3 · Iridium (III) ion · metal · 4 copies · chains A, B
- NI · Nickel (II) ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- ACY · Acetic acid · additive · 5 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 128 | 0.64 | 0.87 | 28 | NI, ACY |
| 2 | 142 | 0.63 | 0.86 | 26 | IR3, NI, GOL |
| 3 | 238 | 0.55 | 0.77 | 21 | empty |
| 4 | 114 | 0.43 | 0.77 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1516 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 1K26 · Structure of a Nudix Protein from Pyrobaculum aerophilum Solved by the Single Wavelength… · 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 Q8ZTD8
- Elsewhere: RCSB PDB 1K26 · PDBe 1K26 · UniProt Q8ZTD8
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