Research workbench
Design and crystal structure of protein mofs with ferritin nanocages as linkers and nickel clusters as nodes
Analyse Design and crystal structure of protein mofs with ferritin nanocages as linkers… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6KH0
- Type
- protein
- Length
- 1,020 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferritin
- EC
- 1.16.3.1
- UniProt
- T2B7E1
- Ligands
- FE
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Ferritin (EC 1.16.3.1) | protein | 170 | 73% helix, 0% strand | T2B7E1 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 91 | 0.76 | 0.97 | 16 | empty |
| 2 | 272 | 0.59 | 0.79 | 35 | empty |
| 3 | 238 | 0.53 | 0.77 | 30 | empty |
| 4 | 139 | 0.41 | 0.74 | 19 | empty |
| 5 | 109 | 0.39 | 0.75 | 18 | empty |
Interfaces
9 interfaces between chains.
- B–C · 1449 Ų buried · 32 hydrogen bonds · protein-protein
- C–E · 745 Ų buried · 9 hydrogen bonds · protein-protein
- D–E · 740 Ų buried · 8 hydrogen bonds · protein-protein
- B–F · 736 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 736 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 6KH0 · Design and crystal structure of protein MOFs with ferritin nanocages as linkers and… · 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 T2B7E1
- Elsewhere: RCSB PDB 6KH0 · PDBe 6KH0 · UniProt T2B7E1
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