Research workbench
Structure of reovirus SIGMA1 in complex with its receptor junctional adhesion molecule-a
Analyse Structure of reovirus SIGMA1 in complex with its receptor junctional adhesion… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3EOY
- Type
- protein
- Length
- 1,577 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Outer capsid protein sigma-1; Junctional adhesion molecule a
- UniProt
- P03528, Q9Y624
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 5 distinct chains · 5% helix, 59% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Outer capsid protein sigma-1 | protein | 161 | 5% helix, 60% strand | P03528 |
| B, E, F | Outer capsid protein sigma-1 | protein | 160 | 5% helix, 61% strand | P03528 |
| C | Outer capsid protein sigma-1 | protein | 162 | 5% helix, 59% strand | P03528 |
| D | Outer capsid protein sigma-1 | protein | 162 | 5% helix, 60% strand | P03528 |
| G, H, I, J, K, L | Junctional adhesion molecule a | protein | 102 | 7% helix, 52% strand | Q9Y624 |
Pockets
20 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 441 | 0.87 | 0.94 | 44 | empty |
| 2 | 447 | 0.87 | 0.94 | 44 | empty |
| 3 | 489 | 0.67 | 0.78 | 51 | empty |
| 4 | 70 | 0.62 | 0.92 | 25 | empty |
| 5 | 252 | 0.51 | 0.75 | 31 | empty |
Interfaces
17 interfaces between chains.
- B–C · 1186 Ų buried · 19 hydrogen bonds · protein-protein
- D–E · 1185 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1164 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 1162 Ų buried · 17 hydrogen bonds · protein-protein
- E–F · 1159 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 3EOY · Structure of Reovirus sigma1 in Complex with Its Receptor Junctional Adhesion Molecule-A · the same entry in another collection · chain L against L, 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 P03528
- Every structure of UniProt Q9Y624
- Elsewhere: RCSB PDB 3EOY · PDBe 3EOY · UniProt P03528 · UniProt Q9Y624
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