Research workbench
Crystal structure of the dodecameric ferritin mrga from B. subtilis 168
Analyse Crystal structure of the dodecameric ferritin mrga from B. subtilis 168 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2CHP
- Type
- protein
- Length
- 585 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Metalloregulation DNA-binding stress protein
- UniProt
- P37960
- Ligands
- PO4
- Pockets
- 4 · best druggability 0.42
Structure
x-ray diffraction · 3 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Metalloregulation DNA-binding stress protein | protein | 148 | 80% helix, 0% strand | P37960 |
| B | Metalloregulation DNA-binding stress protein | protein | 147 | 79% helix, 0% strand | P37960 |
| C, D | Metalloregulation DNA-binding stress protein | protein | 145 | 80% helix, 0% strand | P37960 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains B, A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 120 | 0.42 | 0.76 | 13 | empty |
| 2 | 109 | 0.35 | 0.73 | 23 | empty |
| 3 | 79 | 0.34 | 0.75 | 16 | empty |
| 4 | 59 | 0.30 | 0.75 | 16 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1123 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 1108 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 449 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 406 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2CHP · Crystal structure of the dodecameric ferritin MrgA from B. subtilis 168 · the same entry in another collection · chain A against A, TM-score 1.00
- P37960 · AlphaFold monomer V2.0 prediction for metalloregulation DNA-binding stress protein… · a predicted model of the same protein · chain C against A, TM-score 0.99
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 P37960
- Elsewhere: RCSB PDB 2CHP · PDBe 2CHP · UniProt P37960
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