Research workbench
Crystal structures of a novel open pore ferritin from the hyperthermophilic archaeon archaeoglobus fulgidus.
Analyse Crystal structures of a novel open pore ferritin from the hyperthermophilic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1SQ3
- Type
- protein
- Length
- 1,944 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferritin
- UniProt
- O29424
- Ligands
- FE
- Pockets
- 20 · best druggability 0.63
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, I, J, K, L | Ferritin | protein | 162 | 78% helix, 1% strand | O29424 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 36 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 457 | 0.63 | 0.77 | 60 | empty |
| 2 | 406 | 0.62 | 0.77 | 60 | empty |
| 3 | 397 | 0.61 | 0.77 | 55 | empty |
| 4 | 381 | 0.61 | 0.77 | 57 | empty |
| 5 | 385 | 0.61 | 0.77 | 47 | empty |
Interfaces
22 interfaces between chains.
- G–H · 1347 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 1342 Ų buried · 28 hydrogen bonds · protein-protein
- I–J · 1339 Ų buried · 25 hydrogen bonds · protein-protein
- K–L · 1329 Ų buried · 29 hydrogen bonds · protein-protein
- C–D · 1320 Ų buried · 29 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 96 modified (engineered).
Compared structures
- 1SQ3 · Crystal structures of a novel open pore ferritin from the hyperthermophilic Archaeon… · 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 O29424
- Elsewhere: RCSB PDB 1SQ3 · PDBe 1SQ3 · UniProt O29424
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