Research workbench
Structure of human I113T SOD1 complexed with adrenaline in the P21 space group.
Analyse Structure of human I113T SOD1 complexed with adrenaline in the P21 space group. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4A7U
- Type
- protein
- Length
- 306 residues
- Chains
- 2
- 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
- ALE, CU, ZN, SO4
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, F | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 153 | 7% helix, 41% strand | P00441 |
Ligands and binding sites
- ALE · L-epinephrine · ligand · 2 copies · chains A
- CU · Copper (II) ion · metal · 2 copies · chains A, F
- ZN · Zinc ion · metal · 2 copies · chains A, F
- SO4 · Sulfate ion · ion · 4 copies · chains A, F
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 210 | 0.62 | 0.82 | 32 | empty |
| 2 | 107 | 0.36 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–F · 689 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4A7U · Structure of human I113T SOD1 complexed with adrenaline in the p21 space group. · 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 4A7U · PDBe 4A7U · UniProt P00441
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