MolNFT v1 · #35254 · protein
Structure of nucleotide triphosphate pyrophosphatase from pyrococcus horikoshii OT3
2E5X · Hypothetical protein PH1917: “Structure of nucleotide triphosphate pyrophosphatase from pyrococcus horikoshii OT3”. X-ray diffraction, 2 ligands (ITT, NA), 1 pocket (best druggability 0.64). MolNFT v1 #35254 on GenesisL1: 3D…
- PDB
- 2E5X
- Type
- protein
- Length
- 185 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein PH1917
- EC
- 3.6.1.19
- UniProt
- O59580
- Ligands
- ITT, NA
- Pockets
- 1 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein PH1917 (EC 3.6.1.19) | protein | 185 | 40% helix, 26% strand | O59580 |
Ligands and binding sites
- ITT · Inosine 5'-triphosphate · ligand · chains A
- NA · Sodium ion · metal · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
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 | 268 | 0.64 | 0.81 | 35 | NA, ITT |
Compared structures
- 2E5X · Structure of nucleotide triphosphate pyrophosphatase from pyrococcus horikoshii OT3 · the same entry in another collection · chain A against A, TM-score 1.00
- O59580 · AlphaFold monomer V2.0 prediction for DITP/XTP pyrophosphatase (O59580) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O59580
- Elsewhere: RCSB PDB 2E5X · PDBe 2E5X · UniProt O59580
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