MolNFT v1 · #154615 · protein
Design and crystal structure of protein mofs with ferritin nanocages as linkers and nickel clusters as nodes
6KH0: “Design and crystal structure of protein mofs with ferritin nanocages as linkers and nickel clusters as nodes”. X-ray diffraction, 1 ligand (FE), 5 pockets (best druggability 0.76). MolNFT v1 #154615 on GenesisL1: 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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