Research workbench
Crystal structure of the K184R, L185P mutant manganese superoxide dismutase from candida albicans cytosol
Analyse Crystal structure of the K184R, L185P mutant manganese superoxide dismutase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GUN
- Type
- protein
- Length
- 3,279 residues
- Chains
- 16
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Superoxide dismutase
- EC
- 1.15.1.1
- UniProt
- Q96UT6
- Ligands
- MN, SO4
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L, M, N, O | Superoxide dismutase (EC 1.15.1.1) | protein | 205 | 54% helix, 13% strand | Q96UT6 |
| P | Superoxide dismutase (EC 1.15.1.1) | protein | 204 | 54% helix, 13% strand | Q96UT6 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 16 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
- SO4 · Sulfate ion · ion · 26 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 752 | 0.76 | 0.81 | 65 | empty |
| 2 | 756 | 0.76 | 0.80 | 66 | empty |
| 3 | 1042 | 0.70 | 0.75 | 80 | SO4 |
| 4 | 1007 | 0.70 | 0.75 | 82 | SO4 |
| 5 | 967 | 0.70 | 0.75 | 75 | empty |
Interfaces
35 interfaces between chains.
- B–D · 1321 Ų buried · 11 hydrogen bonds · protein-protein
- O–P · 1319 Ų buried · 11 hydrogen bonds · protein-protein
- M–N · 1317 Ų buried · 10 hydrogen bonds · protein-protein
- I–J · 1317 Ų buried · 11 hydrogen bonds · protein-protein
- G–H · 1308 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4GUN · Crystal Structure of the K184R, L185P mutant manganese superoxide dismutase from Candida… · 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 Q96UT6
- Elsewhere: RCSB PDB 4GUN · PDBe 4GUN · UniProt Q96UT6
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