MolNFT v1 · #46925 · protein
Crystal structure of reovirus T3D attachment protein SIGMA1 head domain wild-type at 1.75 a resolution
2OJ5 · Viral attachment protein sigma 1: “Crystal structure of reovirus T3D attachment protein SIGMA1 head domain wild-type at 1.75 a resolution”. X-ray diffraction, 1 ligand (MG), 9 pockets (best druggability 0.87). MolNFT v1 #46925 on…
- PDB
- 2OJ5
- Type
- protein
- Length
- 971 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Viral attachment protein sigma 1
- UniProt
- Q86337
- Ligands
- MG
- Pockets
- 9 · best druggability 0.87
Structure
x-ray diffraction · 5 distinct chains · 5% helix, 60% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Viral attachment protein sigma 1 | protein | 162 | 5% helix, 60% strand | Q86337 |
| B, F | Viral attachment protein sigma 1 | protein | 163 | 5% helix, 60% strand | Q86337 |
| C | Viral attachment protein sigma 1 | protein | 162 | 5% helix, 59% strand | Q86337 |
| D | Viral attachment protein sigma 1 | protein | 160 | 5% helix, 59% strand | Q86337 |
| E | Viral attachment protein sigma 1 | protein | 161 | 5% helix, 60% strand | Q86337 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 461 | 0.87 | 0.95 | 43 | empty |
| 2 | 458 | 0.87 | 0.94 | 44 | empty |
| 3 | 805 | 0.72 | 0.77 | 76 | GOL |
| 4 | 64 | 0.44 | 0.82 | 22 | empty |
| 5 | 60 | 0.41 | 0.81 | 18 | empty |
Interfaces
8 interfaces between chains.
- A–C · 1214 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 1213 Ų buried · 21 hydrogen bonds · protein-protein
- E–F · 1212 Ų buried · 20 hydrogen bonds · protein-protein
- D–F · 1202 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1186 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 2OJ5 · Crystal Structure of Reovirus T3D Attachment Protein Sigma1 head domain wild-type at 1.75… · 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 Q86337
- Elsewhere: RCSB PDB 2OJ5 · PDBe 2OJ5 · UniProt Q86337
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