MolNFT v1 · #65213 · protein
Structural and biophysical properties of the pathogenic SOD1 variant H46R/H48Q
3GQF · Superoxide dismutase [cu-zn]: “Structural and biophysical properties of the pathogenic SOD1 variant H46R/H48Q”. X-ray diffraction, 2 ligands (ZN, CA), 8 pockets (best druggability 0.63). MolNFT v1 #65213 on GenesisL1: 3D structure…
- PDB
- 3GQF
- Type
- protein
- Length
- 918 residues
- Chains
- 6
- 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
- ZN, CA
- Pockets
- 8 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 153 | 3% helix, 41% strand | P00441 |
Ligands and binding sites
- ZN · Zinc ion · metal · 6 copies · chains A, B, C, D, E, F
- CA · Calcium ion · metal · 5 copies · chains A, B, C, D, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 248 | 0.63 | 0.82 | 32 | empty |
| 2 | 204 | 0.62 | 0.82 | 29 | empty |
| 3 | 250 | 0.61 | 0.81 | 28 | empty |
| 4 | 287 | 0.57 | 0.77 | 45 | empty |
| 5 | 158 | 0.53 | 0.80 | 29 | empty |
Interfaces
5 interfaces between chains.
- C–D · 700 Ų buried · 4 hydrogen bonds · protein-protein
- E–F · 698 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 690 Ų buried · 4 hydrogen bonds · protein-protein
- D–E · 338 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 325 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3GQF · Structural and Biophysical Properties of the Pathogenic SOD1 Variant H46R/H48Q · 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 3GQF · PDBe 3GQF · UniProt P00441
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.