Research workbench
Human SOD1 C57S mutant, as-isolated
Analyse Human SOD1 C57S mutant, as-isolated in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4MCM
- Type
- protein
- Length
- 1,834 residues
- Chains
- 12
- 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, SO4
- Pockets
- 18 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D, F, G, H, I, J, K, L | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 153 | 5% helix, 41% strand | P00441 |
| C, E | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 152 | 3% helix, 38% strand | P00441 |
Ligands and binding sites
- ZN · Zinc ion · metal · 24 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
- SO4 · Sulfate ion · ion · 14 copies · chains A, B, D, F, C, E, G, H, J, L, I, K
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1092 | 0.77 | 0.79 | 107 | SO4 |
| 2 | 1164 | 0.77 | 0.79 | 113 | SO4 |
| 3 | 303 | 0.63 | 0.80 | 42 | empty |
| 4 | 279 | 0.63 | 0.81 | 35 | empty |
| 5 | 264 | 0.61 | 0.80 | 42 | empty |
Interfaces
18 interfaces between chains.
- A–B · 737 Ų buried · 4 hydrogen bonds · protein-protein
- E–F · 722 Ų buried · 4 hydrogen bonds · protein-protein
- G–H · 717 Ų buried · 4 hydrogen bonds · protein-protein
- I–J · 696 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 695 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4MCM · Human SOD1 C57S Mutant, As-isolated · 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 4MCM · PDBe 4MCM · UniProt P00441
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