MolNFT v1 · #68701 · protein
Crystal structure of drosophila 3,4-dihydroxyphenylalanine decarboxylase
3K40 · Aromatic-L-amino-acid decarboxylase: “Crystal structure of drosophila 3,4-dihydroxyphenylalanine decarboxylase”. X-ray diffraction, 7 pockets (best druggability 0.80). MolNFT v1 #68701 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3K40
- Type
- protein
- Length
- 896 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aromatic-L-amino-acid decarboxylase
- EC
- 4.1.1.28
- UniProt
- P05031
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aromatic-L-amino-acid decarboxylase (EC 4.1.1.28) | protein | 448 | 52% helix, 15% strand | P05031 |
Ligands and binding sites
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 164 | 0.80 | 0.96 | 31 | empty |
| 2 | 1085 | 0.73 | 0.76 | 88 | empty |
| 3 | 104 | 0.42 | 0.77 | 23 | empty |
| 4 | 182 | 0.41 | 0.73 | 22 | empty |
| 5 | 92 | 0.40 | 0.77 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 4879 Ų buried · 49 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (cofactor).
Compared structures
- 3K40 · Crystal structure of Drosophila 3,4-dihydroxyphenylalanine decarboxylase · the same entry in another collection · chain A against A, TM-score 1.00
- P05031 · AlphaFold monomer V2.0 prediction for aromatic-L-amino-acid decarboxylase (P05031) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P05031
- Elsewhere: RCSB PDB 3K40 · PDBe 3K40 · UniProt P05031
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