MolNFT v1 · #177104 · protein
The crystal structure of arylacetate decarboxylase from olsenella scatoligenes.
7E7L · Hydroxyphenylacetic acid decarboxylase: “The crystal structure of arylacetate decarboxylase from olsenella scatoligenes.”. X-ray diffraction, 1 ligand (4HP), 20 pockets (best druggability 0.81). MolNFT v1 #177104 on GenesisL1: 3D…
- PDB
- 7E7L
- Type
- protein
- Length
- 1,536 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxyphenylacetic acid decarboxylase
- UniProt
- A0A100YWM3
- Ligands
- 4HP
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxyphenylacetic acid decarboxylase | protein | 770 | 43% helix, 5% strand | A0A100YWM3 |
| B | Hydroxyphenylacetic acid decarboxylase | protein | 766 | 45% helix, 6% strand | A0A100YWM3 |
Ligands and binding sites
- 4HP · 4-hydroxyphenylacetate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 137 | 0.81 | 0.98 | 33 | 4HP |
| 2 | 121 | 0.79 | 0.97 | 33 | 4HP |
| 3 | 507 | 0.78 | 0.85 | 55 | empty |
| 4 | 111 | 0.78 | 0.97 | 25 | empty |
| 5 | 409 | 0.77 | 0.87 | 72 | empty |
Interfaces
1 interface between chains.
- A–B · 705 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7E7L · The crystal structure of arylacetate decarboxylase from Olsenella scatoligenes. · 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 A0A100YWM3
- Elsewhere: RCSB PDB 7E7L · PDBe 7E7L · UniProt A0A100YWM3
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