MolNFT v1 · #77325 · protein
Crystal structure of human aromatic L-amino acid decarboxylase (aadc) in the apo form
3RBF · Aromatic-L-amino-acid decarboxylase: “Crystal structure of human aromatic L-amino acid decarboxylase (aadc) in the apo form”. X-ray diffraction, 2 ligands (PLP, CL), 9 pockets (best druggability 0.74). MolNFT v1 #77325 on GenesisL1…
- PDB
- 3RBF
- Type
- protein
- Length
- 886 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
- Q53Y41
- Ligands
- PLP, CL
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aromatic-L-amino-acid decarboxylase (EC 4.1.1.28) | protein | 443 | 50% helix, 14% strand | Q53Y41 |
| B | Aromatic-L-amino-acid decarboxylase (EC 4.1.1.28) | protein | 443 | 51% helix, 14% strand | Q53Y41 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 423 | 0.74 | 0.84 | 45 | empty |
| 2 | 52 | 0.71 | 0.98 | 18 | empty |
| 3 | 156 | 0.56 | 0.81 | 32 | PLP |
| 4 | 70 | 0.50 | 0.85 | 17 | CL |
| 5 | 93 | 0.44 | 0.79 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 4301 Ų buried · 58 hydrogen bonds · protein-protein
Compared structures
- 3RBF · Crystal structure of Human aromatic L-amino acid decarboxylase (AADC) in the apo form · 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
- Every structure of UniProt Q53Y41
- Elsewhere: RCSB PDB 3RBF · PDBe 3RBF · UniProt Q53Y41
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