MolNFT v1 · #62350 · protein
Crystal structure of the als-related pathological mutant T54R of human apo CU,ZN superoxide dismutase (SOD1)
3ECW · Superoxide dismutase [cu-zn]: “Crystal structure of the als-related pathological mutant T54R of human apo CU,ZN superoxide dismutase (SOD1)”. X-ray diffraction, 6 pockets (best druggability 0.64). MolNFT v1 #62350 on GenesisL1: 3D…
- PDB
- 3ECW
- Type
- protein
- Length
- 553 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Superoxide dismutase [cu-zn]
- EC
- 1.15.1.1
- UniProt
- P00441
- Pockets
- 6 · best druggability 0.64
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 153 | 5% helix, 41% strand | P00441 |
| C | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 124 | 4% helix, 50% strand | P00441 |
| D | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 123 | 6% helix, 50% strand | P00441 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 192 | 0.64 | 0.84 | 31 | empty |
| 2 | 177 | 0.63 | 0.84 | 30 | empty |
| 3 | 124 | 0.36 | 0.72 | 18 | empty |
| 4 | 116 | 0.34 | 0.73 | 26 | empty |
| 5 | 92 | 0.31 | 0.72 | 15 | empty |
Interfaces
4 interfaces between chains.
- C–D · 813 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 805 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 435 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 159 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3ECW · Crystal structure of the ALS-related pathological mutant T54R of human apo Cu,Zn… · 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 3ECW · PDBe 3ECW · UniProt P00441
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