MolNFT v1 · #40511 · protein
Crystal structure of N-quinol form of aromatic amine dehydrogenase (aadh) from alcaligenes faecalis, form B
2IUV · Aromatic amine dehydrogenase alpha subunit: “Crystal structure of N-quinol form of aromatic amine dehydrogenase (aadh) from alcaligenes faecalis, form B”. X-ray diffraction, 9 pockets (best druggability 0.78). MolNFT v1 #40511 on…
- PDB
- 2IUV
- Type
- protein
- Length
- 948 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
- 9 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 7% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aromatic amine dehydrogenase alpha subunit (EC 1.4.99.4) | protein | 359 | 6% helix, 49% strand | — |
| B | Aromatic amine dehydrogenase alpha subunit (EC 1.4.99.4) | protein | 358 | 6% helix, 49% strand | — |
| D | Aromatic amine dehydrogenase beta subunit (EC 1.4.99.4) | protein | 109 | 8% helix, 37% strand | — |
| H | Aromatic amine dehydrogenase beta subunit (EC 1.4.99.4) | protein | 122 | 16% helix, 31% strand | — |
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 487 | 0.78 | 0.86 | 38 | empty |
| 2 | 534 | 0.77 | 0.84 | 37 | empty |
| 3 | 55 | 0.67 | 0.96 | 18 | empty |
| 4 | 53 | 0.67 | 0.96 | 19 | empty |
| 5 | 133 | 0.47 | 0.78 | 23 | empty |
Interfaces
5 interfaces between chains.
- A–H · 1404 Ų buried · 28 hydrogen bonds · protein-protein
- B–D · 1384 Ų buried · 28 hydrogen bonds · protein-protein
- B–H · 985 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 926 Ų buried · 18 hydrogen bonds · protein-protein
- A–D · 923 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide, 2 modified (disulfide, nonstandard).
Compared structures
- 2IUV · Crystal structure of N-quinol form of 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 2IUV · PDBe 2IUV
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