MolNFT v1 · #165503 · protein
Crystal structure of thermotoga maritima E65K ferritin
6TXK: “Crystal structure of thermotoga maritima E65K ferritin”. X-ray diffraction, 3 ligands (LFA, FE, SO4), 20 pockets (best druggability 0.73). MolNFT v1 #165503 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6TXK
- Type
- protein
- Length
- 1,312 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferritin
- EC
- 1.16.3.2
- UniProt
- Q9X0L2
- Ligands
- LFA, FE, SO4
- Pockets
- 20 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 78% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Ferritin (EC 1.16.3.2) | protein | 164 | 78% helix, 1% strand | Q9X0L2 |
Ligands and binding sites
- LFA · Eicosane · ligand · 4 copies · chains A, B, C, D, E, F, G, H
- FE · Fe (III) ion · metal · 8 copies · chains A, B, C, D, E, F, G, H
- SO4 · Sulfate ion · ion · 32 copies · chains A, D, B, E, C, H, G, F
- GOL · Glycerol · additive · 12 copies · chains A, B, C, G, D, E, F, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 230 | 0.73 | 0.87 | 25 | LFA |
| 2 | 231 | 0.73 | 0.87 | 25 | LFA |
| 3 | 238 | 0.71 | 0.86 | 30 | LFA |
| 4 | 264 | 0.71 | 0.85 | 31 | LFA |
| 5 | 468 | 0.68 | 0.79 | 46 | SO4 |
Interfaces
12 interfaces between chains.
- G–H · 1248 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 1243 Ų buried · 25 hydrogen bonds · protein-protein
- E–F · 1236 Ų buried · 25 hydrogen bonds · protein-protein
- A–B · 1190 Ų buried · 26 hydrogen bonds · protein-protein
- C–G · 539 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6TXK · Crystal structure of thermotoga maritima E65K Ferritin · 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 Q9X0L2
- Elsewhere: RCSB PDB 6TXK · PDBe 6TXK · UniProt Q9X0L2
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