Research workbench
Leifsonia alcohol dehydrogenases lnadh
Analyse Leifsonia alcohol dehydrogenases lnadh in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7V1Q
- Type
- protein
- Length
- 2,008 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenases
- Ligands
- NAD, ZN
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Alcohol dehydrogenases | protein | 251 | 51% helix, 18% strand | — |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 8 copies · chains A, B, C, D, E, F, G, H
- ZN · Zinc ion · metal · 13 copies · chains A, E, G, B, D, C, F, H
- IPA · Isopropyl alcohol · additive · 8 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1065 | 0.85 | 0.86 | 73 | empty |
| 2 | 1153 | 0.84 | 0.85 | 87 | ZN |
| 3 | 518 | 0.70 | 0.79 | 47 | IPA, NAD |
| 4 | 519 | 0.69 | 0.79 | 46 | IPA, NAD |
| 5 | 492 | 0.69 | 0.79 | 42 | IPA, NAD |
Interfaces
14 interfaces between chains.
- B–E · 1587 Ų buried · 20 hydrogen bonds · protein-protein
- C–F · 1580 Ų buried · 20 hydrogen bonds · protein-protein
- G–H · 1579 Ų buried · 20 hydrogen bonds · protein-protein
- A–D · 1578 Ų buried · 20 hydrogen bonds · protein-protein
- D–E · 1558 Ų buried · 37 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 32 modified (engineered).
Compared structures
- 7V1Q · Leifsonia Alcohol Dehydrogenases LnADH · 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
- Elsewhere: RCSB PDB 7V1Q · PDBe 7V1Q
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