MolNFT v1 · #25217 · protein
Crystal structure of alcohol dehydrogenase (TM0436) from thermotoga maritima at 2.00 a resolution
1VJ0 · Alcohol dehydrogenase, zinc-containing: “Crystal structure of alcohol dehydrogenase (TM0436) from thermotoga maritima at 2.00 a resolution”. X-ray diffraction, 2 ligands (UNL, ZN), 16 pockets (best druggability 0.85). MolNFT v1…
- PDB
- 1VJ0
- Type
- protein
- Length
- 1,459 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase, zinc-containing
- EC
- 1.1.1.1
- UniProt
- Q9WYR7
- Ligands
- UNL, ZN
- Pockets
- 16 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 30% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alcohol dehydrogenase, zinc-containing (EC 1.1.1.1) | protein | 366 | 30% helix, 28% strand | Q9WYR7 |
| B, C | Alcohol dehydrogenase, zinc-containing (EC 1.1.1.1) | protein | 364 | 30% helix, 27% strand | Q9WYR7 |
| D | Alcohol dehydrogenase, zinc-containing (EC 1.1.1.1) | protein | 365 | 30% helix, 28% strand | Q9WYR7 |
Ligands and binding sites
- UNL · Unknown ligand · ligand · 4 copies · chains A, B, C, D
- ZN · Zinc ion · metal · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 940 | 0.85 | 0.87 | 108 | empty |
| 2 | 605 | 0.77 | 0.83 | 59 | UNL |
| 3 | 739 | 0.76 | 0.81 | 79 | UNL |
| 4 | 720 | 0.75 | 0.80 | 65 | UNL |
| 5 | 693 | 0.73 | 0.79 | 68 | UNL |
Interfaces
6 interfaces between chains.
- B–D · 1929 Ų buried · 33 hydrogen bonds · protein-protein
- A–C · 1891 Ų buried · 30 hydrogen bonds · protein-protein
- B–C · 872 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 837 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 769 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 1VJ0 · Crystal structure of Alcohol dehydrogenase (TM0436) from Thermotoga maritima at 2.00 A… · 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 Q9WYR7
- Elsewhere: RCSB PDB 1VJ0 · PDBe 1VJ0 · UniProt Q9WYR7
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