Research workbench
Crystal structure of aromatic amine dehydrogenase (aadh) from alcaligenes faecalis
Analyse Crystal structure of aromatic amine dehydrogenase (aadh) from alcaligenes… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2AH1
- Type
- protein
- Length
- 939 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aromatic amine dehydrogenase
- EC
- 1.4.99.4
- UniProt
- P84887, Q0VKG7
- Pockets
- 7 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D, H | Aromatic amine dehydrogenase (EC 1.4.99.4) | protein | 110 | 8% helix, 37% strand | P84887 |
| A | Aromatic amine dehydrogenase (EC 1.4.99.4) | protein | 359 | 6% helix, 49% strand | Q0VKG7 |
| B | Aromatic amine dehydrogenase (EC 1.4.99.4) | protein | 360 | 6% helix, 48% strand | Q0VKG7 |
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 552 | 0.81 | 0.87 | 42 | empty |
| 2 | 554 | 0.79 | 0.85 | 41 | empty |
| 3 | 53 | 0.68 | 0.97 | 17 | empty |
| 4 | 51 | 0.67 | 0.96 | 17 | empty |
| 5 | 262 | 0.58 | 0.78 | 43 | empty |
Interfaces
5 interfaces between chains.
- D–B · 1392 Ų buried · 28 hydrogen bonds · protein-protein
- H–A · 1389 Ų buried · 27 hydrogen bonds · protein-protein
- A–B · 923 Ų buried · 18 hydrogen bonds · protein-protein
- D–A · 861 Ų buried · 15 hydrogen bonds · protein-protein
- H–B · 853 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide, 2 modified (disulfide, cofactor).
Compared structures
- 2AH1 · Crystal structure of aromatic amine dehydrogenase (AADH) from Alcaligenes faecalis · the same entry in another collection · chain D against D, TM-score 1.00
- P84887 · AlphaFold monomer V2.0 prediction for aralkylamine dehydrogenase light chain (P84887) · a predicted model of the same protein · chain H 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 P84887
- Every structure of UniProt Q0VKG7
- Elsewhere: RCSB PDB 2AH1 · PDBe 2AH1 · UniProt P84887 · UniProt Q0VKG7
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