Research workbench
Crystal structure of a hexadecameric TF55 complex from S. solfataricus, crystal form I
Analyse Crystal structure of a hexadecameric TF55 complex from S. solfataricus, crystal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4XCG
- Type
- protein
- Length
- 969 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 3.737
- Source
- Sulfolobus solfataricus (strain ATCC 35092 / DSM 1617 / JCM 11322 / P2)
- Molecule
- Thermosome subunit beta; Thermosome subunit alpha
- UniProt
- Q9V2T8, Q9V2S9
- Ligands
- ADP
- Pockets
- 10 · best druggability 0.80
Structure
x-ray diffraction · resolution 3.737 · 2 distinct chains · 51% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Thermosome subunit beta | protein | 472 | 52% helix, 17% strand | Q9V2T8 |
| A | Thermosome subunit alpha | protein | 497 | 50% helix, 16% strand | Q9V2S9 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 684 | 0.80 | 0.84 | 54 | empty |
| 2 | 859 | 0.79 | 0.82 | 83 | ADP |
| 3 | 315 | 0.64 | 0.80 | 43 | empty |
| 4 | 248 | 0.62 | 0.81 | 24 | empty |
| 5 | 55 | 0.54 | 0.88 | 17 | empty |
Interfaces
1 interface between chains.
- B–A · 1187 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 4XCG · Crystal structure of a hexadecameric TF55 complex from S. solfataricus, crystal form I · the same entry in another collection · chain A against A, TM-score 1.00
- Q9V2T8 · AlphaFold monomer V2.0 prediction for thermosome subunit beta (Q9V2T8) · a predicted model of the same protein · chain B against A, TM-score 0.91
- Q9V2S9 · AlphaFold monomer V2.0 prediction for thermosome subunit alpha (Q9V2S9) · a predicted model of the same protein · chain A against A, TM-score 0.71
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 Q9V2T8
- Every structure of UniProt Q9V2S9
- Elsewhere: RCSB PDB 4XCG · PDBe 4XCG · UniProt Q9V2T8 · UniProt Q9V2S9
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