MolNFT v1 · #35236 · protein
Crystal structure of the PH0510 protein from pyrococcus horikoshii OT3 in complex with phosphate ion
2E5F · Hypothetical protein PH0510: “Crystal structure of the PH0510 protein from pyrococcus horikoshii OT3 in complex with phosphate ion”. X-ray diffraction, 1 ligand (PO4), 5 pockets (best druggability 0.88). MolNFT v1 #35236 on…
- PDB
- 2E5F
- Type
- protein
- Length
- 649 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein PH0510
- UniProt
- O58246
- Ligands
- PO4
- Pockets
- 5 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein PH0510 | protein | 325 | 46% helix, 17% strand | O58246 |
| B | Hypothetical protein PH0510 | protein | 324 | 46% helix, 17% strand | O58246 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 5 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 586 | 0.88 | 0.93 | 56 | EDO |
| 2 | 117 | 0.78 | 0.97 | 26 | PO4 |
| 3 | 114 | 0.77 | 0.97 | 26 | PO4 |
| 4 | 161 | 0.63 | 0.85 | 23 | empty |
| 5 | 141 | 0.63 | 0.85 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 2772 Ų buried · 41 hydrogen bonds · protein-protein
Compared structures
- 2E5F · Crystal Structure of the PH0510 protein from Pyrococcus horikoshii OT3 in complex with… · 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 O58246
- Elsewhere: RCSB PDB 2E5F · PDBe 2E5F · UniProt O58246
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