MolNFT v1 · #24516 · protein
A4V mutant of human SOD1
1UXM · Superoxide dismutase [cu-zn]: “A4V mutant of human SOD1”. X-ray diffraction, 2 ligands (CU, ZN), 18 pockets (best druggability 0.76). MolNFT v1 #24516 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1UXM
- Type
- protein
- Length
- 1,836 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
- CU, ZN
- Pockets
- 18 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 153 | 5% helix, 41% strand | P00441 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 12 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
- ZN · Zinc ion · metal · 12 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 928 | 0.76 | 0.79 | 129 | empty |
| 2 | 1005 | 0.75 | 0.78 | 121 | empty |
| 3 | 514 | 0.65 | 0.77 | 59 | empty |
| 4 | 232 | 0.64 | 0.83 | 33 | empty |
| 5 | 188 | 0.58 | 0.82 | 35 | empty |
Interfaces
17 interfaces between chains.
- C–D · 759 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 745 Ų buried · 5 hydrogen bonds · protein-protein
- G–H · 731 Ų buried · 5 hydrogen bonds · protein-protein
- K–L · 731 Ų buried · 4 hydrogen bonds · protein-protein
- I–J · 722 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 1UXM · A4V mutant of human SOD1 · 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 1UXM · PDBe 1UXM · UniProt P00441
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