MolNFT v1 · #187780 · protein
Crystal structure analysis of the G73A mutant of superoxide dismutase from trichoderma reesei
7SVS: “Crystal structure analysis of the G73A mutant of superoxide dismutase from trichoderma reesei”. X-ray diffraction, 1 ligand (MN), 19 pockets (best druggability 0.65). MolNFT v1 #187780 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7SVS
- Type
- protein
- Length
- 1,562 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Superoxide dismutase
- EC
- 1.15.1.1
- UniProt
- G0RQS7
- Ligands
- MN
- Pockets
- 19 · best druggability 0.65
Structure
x-ray diffraction · 5 distinct chains · 58% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, H | Superoxide dismutase (EC 1.15.1.1) | protein | 196 | 60% helix, 13% strand | G0RQS7 |
| B, E | Superoxide dismutase (EC 1.15.1.1) | protein | 194 | 58% helix, 13% strand | G0RQS7 |
| C | Superoxide dismutase (EC 1.15.1.1) | protein | 202 | 57% helix, 12% strand | G0RQS7 |
| D, F | Superoxide dismutase (EC 1.15.1.1) | protein | 193 | 59% helix, 12% strand | G0RQS7 |
| G | Superoxide dismutase (EC 1.15.1.1) | protein | 194 | 59% helix, 13% strand | G0RQS7 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 8 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 432 | 0.65 | 0.78 | 58 | empty |
| 2 | 341 | 0.61 | 0.78 | 43 | empty |
| 3 | 156 | 0.60 | 0.84 | 24 | empty |
| 4 | 216 | 0.60 | 0.81 | 26 | empty |
| 5 | 152 | 0.59 | 0.83 | 23 | empty |
Interfaces
10 interfaces between chains.
- F–H · 1010 Ų buried · 2 hydrogen bonds · protein-protein
- E–G · 975 Ų buried · 3 hydrogen bonds · protein-protein
- A–F · 940 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 938 Ų buried · 9 hydrogen bonds · protein-protein
- B–E · 935 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 7SVS · Crystal structure analysis of the G73A mutant of Superoxide Dismutase from Trichoderma… · 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 G0RQS7
- Elsewhere: RCSB PDB 7SVS · PDBe 7SVS · UniProt G0RQS7
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