MolNFT v1 · #77359 · protein
Crystal structure of human aromatic L-amino acid decarboxylase (aadc) in the open conformation with llp and plp bound to chain-a and chain- B respectively
3RCH: “Crystal structure of human aromatic L-amino acid decarboxylase (aadc) in the open conformation with llp and…”. X-ray diffraction, 1 ligand (PLP), 5 pockets (best druggability 0.75). MolNFT v1 #77359 on GenesisL1: 3D structure…
- PDB
- 3RCH
- 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
- P20711
- Ligands
- PLP
- Pockets
- 5 · best druggability 0.75
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 | 446 | 50% helix, 14% strand | P20711 |
| B | Aromatic L-amino acid decarboxylase (EC 4.1.1.28) | protein | 440 | 51% helix, 14% strand | P20711 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 676 | 0.75 | 0.80 | 58 | empty |
| 2 | 196 | 0.55 | 0.79 | 29 | PLP |
| 3 | 119 | 0.38 | 0.74 | 24 | empty |
| 4 | 88 | 0.38 | 0.77 | 18 | empty |
| 5 | 74 | 0.33 | 0.75 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 4185 Ų buried · 55 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (cofactor).
Compared structures
- 3RCH · Crystal structure of Human aromatic L-amino acid decarboxylase (AADC) in the open… · the same entry in another collection · chain A against A, TM-score 1.00
- P20711 · AlphaFold monomer V2.0 prediction for aromatic-L-amino-acid decarboxylase (P20711) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P20711
- Elsewhere: RCSB PDB 3RCH · PDBe 3RCH · UniProt P20711
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