MolNFT v1 · #38629 · protein
Crystal structure of an electron transfer complex between aromatic amine dephydrogenase and azurin from alcaligenes faecalis (form 1)
2H47 · Aromatic amine dehydrogenase: “Crystal structure of an electron transfer complex between aromatic amine dephydrogenase and azurin from…”. X-ray diffraction, 1 ligand (CU), 20 pockets (best druggability 0.80). MolNFT v1 #38629 on…
- PDB
- 2H47
- Type
- protein
- Length
- 2,072 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aromatic amine dehydrogenase; Azurin
- EC
- 1.4.99.4
- UniProt
- P84888, P84887, P00281
- Ligands
- CU
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 9 distinct chains · 9% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aromatic amine dehydrogenase (EC 1.4.99.4) | protein | 360 | 6% helix, 47% strand | P84888 |
| B | Aromatic amine dehydrogenase (EC 1.4.99.4) | protein | 124 | 18% helix, 31% strand | P84887 |
| C | Azurin | protein | 128 | 17% helix, 35% strand | P00281 |
| D | Aromatic amine dehydrogenase (EC 1.4.99.4) | protein | 361 | 6% helix, 48% strand | P84888 |
| E | Aromatic amine dehydrogenase (EC 1.4.99.4) | protein | 125 | 15% helix, 34% strand | P84887 |
| F | Aromatic amine dehydrogenase (EC 1.4.99.4) | protein | 362 | 6% helix, 48% strand | P84888 |
| G | Aromatic amine dehydrogenase (EC 1.4.99.4) | protein | 126 | 17% helix, 33% strand | P84887 |
| H | Aromatic amine dehydrogenase (EC 1.4.99.4) | protein | 362 | 6% helix, 49% strand | P84888 |
| I | Aromatic amine dehydrogenase (EC 1.4.99.4) | protein | 124 | 15% helix, 30% strand | P84887 |
Ligands and binding sites
- CU · Copper (II) ion · metal · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 651 | 0.80 | 0.85 | 43 | empty |
| 2 | 623 | 0.79 | 0.84 | 40 | empty |
| 3 | 578 | 0.79 | 0.85 | 40 | empty |
| 4 | 565 | 0.78 | 0.84 | 39 | empty |
| 5 | 67 | 0.71 | 0.97 | 19 | empty |
Interfaces
15 interfaces between chains.
- H–I · 1402 Ų buried · 26 hydrogen bonds · protein-protein
- F–G · 1400 Ų buried · 25 hydrogen bonds · protein-protein
- A–B · 1396 Ų buried · 28 hydrogen bonds · protein-protein
- D–E · 1369 Ų buried · 25 hydrogen bonds · protein-protein
- G–H · 1042 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 33 disulfide, 4 modified (disulfide, cofactor).
Compared structures
- 2H47 · Crystal Structure of an Electron Transfer Complex Between Aromatic Amine Dephydrogenase… · the same entry in another collection · chain I against I, TM-score 1.00
- P84887 · AlphaFold monomer V2.0 prediction for aralkylamine dehydrogenase light chain (P84887) · a predicted model of the same protein · chain B against A, TM-score 0.99
- P84888 · AlphaFold monomer V2.0 prediction for aralkylamine dehydrogenase heavy chain (P84888) · a predicted model of the same protein · chain D against A, TM-score 0.99
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 P84888
- Every structure of UniProt P84887
- Every structure of UniProt P00281
- Elsewhere: RCSB PDB 2H47 · PDBe 2H47 · UniProt P84888 · UniProt P84887 · UniProt P00281
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