MolNFT v1 · #15321 · protein
Thermostable mutant of human superoxide dismutase, C6A, C111S
1N18 · Superoxide dismutase [cu-zn]: “Thermostable mutant of human superoxide dismutase, C6A, C111S”. X-ray diffraction, 3 ligands (CU1, ZN, SO4), 17 pockets (best druggability 0.80). MolNFT v1 #15321 on GenesisL1: 3D structure, binding…
- PDB
- 1N18
- Type
- protein
- Length
- 1,530 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Superoxide dismutase [cu-zn]
- EC
- 1.15.1.1
- UniProt
- P00441
- Ligands
- CU1, ZN, SO4
- Pockets
- 17 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 153 | 6% helix, 39% strand | P00441 |
Ligands and binding sites
- CU1 · Copper (I) ion · metal · 10 copies · chains A, B, C, D, E, F, G, H, I, J
- ZN · Zinc ion · metal · 10 copies · chains A, B, C, D, E, F, G, H, I, J
- SO4 · Sulfate ion · ion · chains B, D, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 696 | 0.80 | 0.85 | 75 | empty |
| 2 | 792 | 0.78 | 0.82 | 89 | SO4 |
| 3 | 802 | 0.72 | 0.78 | 80 | empty |
| 4 | 181 | 0.69 | 0.88 | 37 | empty |
| 5 | 166 | 0.69 | 0.88 | 32 | empty |
Interfaces
14 interfaces between chains.
- A–B · 745 Ų buried · 4 hydrogen bonds · protein-protein
- I–J · 740 Ų buried · 4 hydrogen bonds · protein-protein
- E–F · 737 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 726 Ų buried · 4 hydrogen bonds · protein-protein
- G–H · 706 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 1N18 · Thermostable mutant of Human Superoxide Dismutase, C6A, C111S · 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 P00441
- Elsewhere: RCSB PDB 1N18 · PDBe 1N18 · UniProt P00441
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