MolNFT v1 · #40505 · protein
Crystal structure of dithionite-reduced aromatic amine dehydrogenase (aadh) from alcaligenes faecalis
2IUP · Aromatic amine dehydrogenase alpha subunit: “Crystal structure of dithionite-reduced aromatic amine dehydrogenase (aadh) from alcaligenes faecalis”. X-ray diffraction, 6 pockets (best druggability 0.81). MolNFT v1 #40505 on…
- PDB
- 2IUP
- Type
- protein
- Length
- 949 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aromatic amine dehydrogenase alpha subunit; Aromatic amine dehydrogenase beta subunit
- EC
- 1.4.99.4
- Pockets
- 6 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 7% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aromatic amine dehydrogenase alpha subunit (EC 1.4.99.4) | protein | 360 | 6% helix, 49% strand | — |
| B | Aromatic amine dehydrogenase alpha subunit (EC 1.4.99.4) | protein | 361 | 6% helix, 48% strand | — |
| D | Aromatic amine dehydrogenase beta subunit (EC 1.4.99.4) | protein | 109 | 11% helix, 37% strand | — |
| H | Aromatic amine dehydrogenase beta subunit (EC 1.4.99.4) | protein | 119 | 16% helix, 35% strand | — |
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 | 571 | 0.81 | 0.87 | 43 | empty |
| 2 | 550 | 0.79 | 0.85 | 40 | empty |
| 3 | 231 | 0.68 | 0.85 | 37 | empty |
| 4 | 227 | 0.66 | 0.84 | 35 | empty |
| 5 | 77 | 0.38 | 0.77 | 20 | empty |
Interfaces
5 interfaces between chains.
- A–H · 1393 Ų buried · 28 hydrogen bonds · protein-protein
- B–D · 1384 Ų buried · 28 hydrogen bonds · protein-protein
- B–H · 946 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 931 Ų buried · 19 hydrogen bonds · protein-protein
- A–D · 926 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide, 2 modified (disulfide, cofactor).
Compared structures
- 2IUP · Crystal structure of dithionite-reduced aromatic amine dehydrogenase (aadh) from… · 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 2IUP · PDBe 2IUP
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.