MolNFT v1 · #10044 · protein
Tetragonal crystal structure of native horse spleen ferritin
1IES: “Tetragonal crystal structure of native horse spleen ferritin”. X-ray diffraction, 1 ligand (CD), 7 pockets (best druggability 0.78). MolNFT v1 #10044 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1IES
- Type
- protein
- Length
- 1,044 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferritin
- UniProt
- P02791
- Ligands
- CD
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 75% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Ferritin | protein | 174 | 75% helix, 0% strand | P02791 |
Ligands and binding sites
- CD · Cadmium ion · metal · 5 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 167 | 0.78 | 0.94 | 22 | empty |
| 2 | 255 | 0.57 | 0.78 | 33 | CD |
| 3 | 249 | 0.55 | 0.77 | 33 | CD |
| 4 | 232 | 0.55 | 0.78 | 33 | empty |
| 5 | 201 | 0.53 | 0.78 | 29 | empty |
Interfaces
9 interfaces between chains.
- B–E · 1489 Ų buried · 20 hydrogen bonds · protein-protein
- B–F · 711 Ų buried · 11 hydrogen bonds · protein-protein
- C–E · 703 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 699 Ų buried · 5 hydrogen bonds · protein-protein
- D–E · 689 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
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 P02791
- Elsewhere: RCSB PDB 1IES · PDBe 1IES · UniProt P02791
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