MolNFT v1 · #10814 · protein
Crystal structure of hypothetical protein PH0642 from pyrococcus horikoshii
1J31: “Crystal structure of hypothetical protein PH0642 from pyrococcus horikoshii”. X-ray diffraction, 5 pockets (best druggability 0.81). MolNFT v1 #10814 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1J31
- Type
- protein
- Length
- 1,048 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein PH0642
- UniProt
- O58376
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Hypothetical protein PH0642 | protein | 262 | 28% helix, 30% strand | O58376 |
Ligands and binding sites
- ACT · Acetate ion · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 842 | 0.81 | 0.84 | 97 | empty |
| 2 | 64 | 0.53 | 0.86 | 21 | ACT |
| 3 | 123 | 0.53 | 0.82 | 21 | empty |
| 4 | 104 | 0.46 | 0.80 | 15 | empty |
| 5 | 55 | 0.34 | 0.77 | 14 | empty |
Interfaces
6 interfaces between chains.
- C–D · 2301 Ų buried · 40 hydrogen bonds · protein-protein
- A–B · 2247 Ų buried · 38 hydrogen bonds · protein-protein
- A–C · 368 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 200 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 178 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 28 modified (engineered).
Compared structures
- 1J31 · Crystal Structure of Hypothetical Protein PH0642 from Pyrococcus horikoshii · 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 O58376
- Elsewhere: RCSB PDB 1J31 · PDBe 1J31 · UniProt O58376
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.