MolNFT v1 · #62906 · protein
Crystal structure of a putative succinate-semialdehyde dehydrogenase from salmonella typhimurium LT2
3ETF: “Crystal structure of a putative succinate-semialdehyde dehydrogenase from salmonella typhimurium LT2”. X-ray diffraction, 15 pockets (best druggability 0.83). MolNFT v1 #62906 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3ETF
- Type
- protein
- Length
- 1,822 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative succinate-semialdehyde dehydrogenase
- EC
- 1.2.1.-
- UniProt
- Q8ZPI3
- Pockets
- 15 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 44% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative succinate-semialdehyde dehydrogenase (EC 1.2.1.-) | protein | 457 | 44% helix, 20% strand | Q8ZPI3 |
| B | Putative succinate-semialdehyde dehydrogenase (EC 1.2.1.-) | protein | 456 | 44% helix, 20% strand | Q8ZPI3 |
| C | Putative succinate-semialdehyde dehydrogenase (EC 1.2.1.-) | protein | 455 | 43% helix, 22% strand | Q8ZPI3 |
| D | Putative succinate-semialdehyde dehydrogenase (EC 1.2.1.-) | protein | 454 | 45% helix, 21% strand | Q8ZPI3 |
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 967 | 0.83 | 0.84 | 141 | empty |
| 2 | 1020 | 0.82 | 0.83 | 117 | empty |
| 3 | 574 | 0.82 | 0.87 | 85 | empty |
| 4 | 836 | 0.81 | 0.84 | 91 | empty |
| 5 | 285 | 0.73 | 0.86 | 59 | empty |
Interfaces
4 interfaces between chains.
- B–C · 2535 Ų buried · 37 hydrogen bonds · protein-protein
- A–D · 2501 Ų buried · 34 hydrogen bonds · protein-protein
- A–C · 1028 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 868 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 48 modified (engineered).
Compared structures
- 3ETF · Crystal structure of a putative succinate-semialdehyde dehydrogenase from salmonella… · 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 Q8ZPI3
- Elsewhere: RCSB PDB 3ETF · PDBe 3ETF · UniProt Q8ZPI3
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