MolNFT v1 · #1261 · protein
Pyruvoyl dependent aspartate decarboxylase
1AW8 · L-aspartate-alpha-decarboxylase: “Pyruvoyl dependent aspartate decarboxylase”. X-ray diffraction, 1 ligand (PYR), 1 pocket (best druggability 0.27). MolNFT v1 #1261 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1AW8
- Type
- protein
- Length
- 228 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-aspartate-alpha-decarboxylase
- EC
- 4.1.1.11
- UniProt
- P0A790
- Ligands
- PYR
- Pockets
- 1 · best druggability 0.27
Structure
x-ray diffraction · 2 distinct chains · 15% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | L-aspartate-alpha-decarboxylase (EC 4.1.1.11) | protein | 24 | 0% helix, 67% strand | P0A790 |
| B, E | L-aspartate-alpha-decarboxylase (EC 4.1.1.11) | protein | 90 | 19% helix, 44% strand | P0A790 |
Ligands and binding sites
- PYR · Pyruvic acid · ligand · 2 copies · chains A, B, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 52 | 0.27 | 0.75 | 24 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1699 Ų buried · 38 hydrogen bonds · protein-protein
- D–E · 1686 Ų buried · 39 hydrogen bonds · protein-protein
- B–E · 482 Ų buried · 2 hydrogen bonds · protein-protein
- A–E · 461 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 219 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
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 P0A790
- Elsewhere: RCSB PDB 1AW8 · PDBe 1AW8 · UniProt P0A790
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