Research workbench
Crystal structure of thermus thermophilus faka ATP-binding domain
Analyse Crystal structure of thermus thermophilus faka ATP-binding domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7ED6
- Type
- protein
- Length
- 399 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable kinase
- UniProt
- Q5SLS9
- Ligands
- ADP, MG
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 75% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable kinase | protein | 203 | 73% helix, 2% strand | Q5SLS9 |
| B | Probable kinase | protein | 196 | 77% helix, 1% strand | Q5SLS9 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 443 | 0.66 | 0.79 | 33 | empty |
| 2 | 133 | 0.61 | 0.85 | 24 | MG, ADP |
| 3 | 121 | 0.56 | 0.83 | 23 | MG, ADP |
Interfaces
1 interface between chains.
- A–B · 882 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 modified (engineered).
Compared structures
- 7ED6 · Crystal structure of Thermus thermophilus FakA ATP-binding domain · 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 Q5SLS9
- Elsewhere: RCSB PDB 7ED6 · PDBe 7ED6 · UniProt Q5SLS9
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