MolNFT v1 · #37764 · protein
C6A/C111A/C57A/C146A apo cuzn superoxide dismutase
2GBU · Superoxide dismutase [cu-zn]: “C6A/C111A/C57A/C146A apo cuzn superoxide dismutase”. X-ray diffraction, 6 pockets (best druggability 0.71). MolNFT v1 #37764 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2GBU
- 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 0.71
Structure
x-ray diffraction · 3 distinct chains · 4% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 153 | 3% helix, 41% strand | P00441 |
| C | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 124 | 4% helix, 48% strand | P00441 |
| D | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 123 | 4% helix, 49% strand | P00441 |
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 256 | 0.71 | 0.86 | 41 | empty |
| 2 | 156 | 0.59 | 0.83 | 25 | empty |
| 3 | 360 | 0.54 | 0.74 | 50 | empty |
| 4 | 302 | 0.53 | 0.75 | 45 | empty |
| 5 | 178 | 0.44 | 0.74 | 33 | empty |
Interfaces
4 interfaces between chains.
- A–B · 902 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 729 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 425 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 136 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2GBU · C6A/C111A/C57A/C146A apo CuZn Superoxide dismutase · the same entry in another collection · chain C against C, 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 2GBU · PDBe 2GBU · UniProt P00441
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