Research workbench
Crystal structure of chaetomium thermophilum mnsod
Analyse Crystal structure of chaetomium thermophilum mnsod in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4BR6
- Type
- protein
- Length
- 787 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Superoxide dismutase
- EC
- 1.15.1.1
- UniProt
- A5JTR7
- Ligands
- NA, MN3
- Pockets
- 9 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Superoxide dismutase (EC 1.15.1.1) | protein | 196 | 54% helix, 14% strand | A5JTR7 |
| B, C, D | Superoxide dismutase (EC 1.15.1.1) | protein | 197 | 54% helix, 14% strand | A5JTR7 |
Ligands and binding sites
- NA · Sodium ion · metal · 6 copies · chains A, D, B, C
- MN3 · Manganese (III) ion · metal · 4 copies · chains A, B, C, D
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 533 | 0.68 | 0.78 | 66 | empty |
| 2 | 476 | 0.68 | 0.79 | 58 | empty |
| 3 | 163 | 0.59 | 0.82 | 25 | NA |
| 4 | 144 | 0.57 | 0.82 | 25 | empty |
| 5 | 134 | 0.55 | 0.82 | 23 | empty |
Interfaces
6 interfaces between chains.
- A–B · 975 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 968 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 834 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 829 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 313 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4BR6 · Crystal structure of Chaetomium thermophilum MnSOD · 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 A5JTR7
- Elsewhere: RCSB PDB 4BR6 · PDBe 4BR6 · UniProt A5JTR7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.