MolNFT v1 · #149793 · protein
Crystal structure of the T1L reovirus SIGMA1 coiled coil tail and body
6GAO · Outer capsid protein sigma-1: “Crystal structure of the T1L reovirus SIGMA1 coiled coil tail and body”. X-ray diffraction, 1 ligand (CL), 1 pocket (best druggability 0.59). MolNFT v1 #149793 on GenesisL1: 3D structure, binding sites…
- PDB
- 6GAO
- Type
- protein
- Length
- 669 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Outer capsid protein sigma-1
- UniProt
- P04506
- Ligands
- CL
- Pockets
- 1 · best druggability 0.59
Structure
x-ray diffraction · 3 distinct chains · 69% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Outer capsid protein sigma-1 | protein | 223 | 69% helix, 14% strand | P04506 |
| B | Outer capsid protein sigma-1 | protein | 225 | 69% helix, 14% strand | P04506 |
| C | Outer capsid protein sigma-1 | protein | 221 | 69% helix, 14% strand | P04506 |
Ligands and binding sites
- CL · Chloride ion · ion · 3 copies · chains A, B, C
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 | 90 | 0.59 | 0.87 | 18 | CL |
Interfaces
3 interfaces between chains.
- A–C · 4619 Ų buried · 57 hydrogen bonds · protein-protein
- A–B · 4491 Ų buried · 50 hydrogen bonds · protein-protein
- B–C · 4484 Ų buried · 52 hydrogen bonds · protein-protein
Compared structures
- 6GAO · Crystal structure of the T1L reovirus sigma1 coiled coil tail and body · 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 P04506
- Elsewhere: RCSB PDB 6GAO · PDBe 6GAO · UniProt P04506
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