MolNFT v1 · #177275 · protein
Crystal structure of selenomethionine-labeled thermus thermophilus faka ATP-binding domain
7ED9 · Probable kinase: “Crystal structure of selenomethionine-labeled thermus thermophilus faka ATP-binding domain”. X-ray diffraction, 2 ligands (ADP, MG), 3 pockets (best druggability 0.64). MolNFT v1 #177275 on GenesisL1: 3D structure…
- PDB
- 7ED9
- Type
- protein
- Length
- 395 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 0.64
Structure
x-ray diffraction · 2 distinct chains · 76% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable kinase | protein | 200 | 75% helix, 2% strand | Q5SLS9 |
| B | Probable kinase | protein | 195 | 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 | 391 | 0.64 | 0.78 | 33 | empty |
| 2 | 146 | 0.62 | 0.85 | 29 | ADP, MG |
| 3 | 147 | 0.58 | 0.83 | 28 | ADP, MG |
Interfaces
1 interface between chains.
- A–B · 827 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 7ED9 · Crystal structure of selenomethionine-labeled 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 7ED9 · PDBe 7ED9 · UniProt Q5SLS9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.