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Unitary crystal structure of the positively supercharged variant FTN(POS) from human heavy chain ferritin (peg 400 condition)
Analyse Unitary crystal structure of the positively supercharged variant FTN(POS) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6H6U
- Type
- protein
- Length
- 1,033 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferritin heavy chain
- EC
- 1.16.3.1
- UniProt
- P02794
- Ligands
- FE, CA
- Pockets
- 10 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 73% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, E, F | Ferritin heavy chain (EC 1.16.3.1) | protein | 172 | 73% helix, 1% strand | P02794 |
| D | Ferritin heavy chain (EC 1.16.3.1) | protein | 173 | 72% helix, 1% strand | P02794 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 15 copies · chains A, B, C, D, E, F
- CA · Calcium ion · metal · 4 copies · chains A, B, C, D, E, F
- GOL · Glycerol · additive · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.74 | 0.98 | 11 | empty |
| 2 | 344 | 0.67 | 0.81 | 40 | empty |
| 3 | 326 | 0.65 | 0.81 | 39 | empty |
| 4 | 212 | 0.52 | 0.77 | 26 | empty |
| 5 | 124 | 0.45 | 0.77 | 20 | empty |
Interfaces
9 interfaces between chains.
- A–D · 1545 Ų buried · 31 hydrogen bonds · protein-protein
- D–F · 730 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 729 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 728 Ų buried · 10 hydrogen bonds · protein-protein
- E–F · 728 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6H6U · Unitary crystal structure of the positively supercharged variant Ftn(pos) from human… · the same entry in another collection · chain F against F, TM-score 1.00
- P02794 · AlphaFold monomer V2.0 prediction for ferritin heavy chain (P02794) · a predicted model of the same protein · 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 P02794
- Elsewhere: RCSB PDB 6H6U · PDBe 6H6U · UniProt P02794
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