MolNFT v1 · #52488 · protein
Crystal structure of single point mutant TYR20PHE P- coumaric acid decarboxylase from lactobacillus plantarum: structural insights into the active site and decarboxylation catalytic mechanism
2W2B · P-coumaric acid decarboxylase: “Crystal structure of single point mutant TYR20PHE P- coumaric acid decarboxylase from lactobacillus…”. X-ray diffraction, 2 pockets (best druggability 0.75). MolNFT v1 #52488 on GenesisL1: 3D…
- PDB
- 2W2B
- Type
- protein
- Length
- 354 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- P-coumaric acid decarboxylase
- UniProt
- Q88RY7
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | P-coumaric acid decarboxylase | protein | 177 | 20% helix, 40% strand | Q88RY7 |
Ligands and binding sites
- ACT · Acetate ion · additive · 2 copies · chains A, B
- IPA · Isopropyl alcohol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 90 | 0.75 | 0.96 | 27 | ACT, IPA |
| 2 | 117 | 0.73 | 0.93 | 30 | ACT, IPA |
Interfaces
1 interface between chains.
- A–B · 1222 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 2W2B · Crystal Structure of single point mutant Tyr20Phe p-coumaric Acid Decarboxylase from… · 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 Q88RY7
- Elsewhere: RCSB PDB 2W2B · PDBe 2W2B · UniProt Q88RY7
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