MolNFT v1 · #163759 · protein
Structure of adhe form 1
6SCI · Aldehyde-alcohol dehydrogenase: “Structure of adhe form 1”. X-ray diffraction, 1 ligand (FE), 4 pockets (best druggability 0.81). MolNFT v1 #163759 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6SCI
- Type
- protein
- Length
- 806 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldehyde-alcohol dehydrogenase
- EC
- 1.1.1.1, 1.2.1.10
- UniProt
- P0A9Q7
- Ligands
- FE
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 58% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aldehyde-alcohol dehydrogenase (EC 1.1.1.1, 1.2.1.10) | protein | 404 | 58% helix, 12% strand | P0A9Q7 |
| B | Aldehyde-alcohol dehydrogenase (EC 1.1.1.1, 1.2.1.10) | protein | 402 | 58% helix, 11% strand | P0A9Q7 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1055 | 0.81 | 0.82 | 82 | empty |
| 2 | 813 | 0.78 | 0.82 | 78 | empty |
| 3 | 833 | 0.78 | 0.81 | 80 | empty |
| 4 | 397 | 0.60 | 0.76 | 58 | empty |
Interfaces
1 interface between chains.
- A–B · 1680 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
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 P0A9Q7
- Elsewhere: RCSB PDB 6SCI · PDBe 6SCI · UniProt P0A9Q7
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