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Crystal structure of P-coumaric acid decarboxylase (NP_786857.1) from lactobacillus plantarum at 1.70 a resolution
Analyse Crystal structure of P-coumaric acid decarboxylase (NP_786857.1) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2GC9
- Type
- protein
- Length
- 339 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- P-coumaric acid decarboxylase
- EC
- 4.1.1.-
- UniProt
- Q88RY7
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.29
Structure
x-ray diffraction · 2 distinct chains · 19% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | P-coumaric acid decarboxylase (EC 4.1.1.-) | protein | 178 | 20% helix, 40% strand | Q88RY7 |
| B | P-coumaric acid decarboxylase (EC 4.1.1.-) | protein | 161 | 18% helix, 45% strand | Q88RY7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 30 copies · chains A, B
- CIT · Citric acid · additive · chains A, B
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 | 63 | 0.29 | 0.74 | 23 | EDO |
Interfaces
1 interface between chains.
- A–B · 1208 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 modified (engineered).
Compared structures
- 2GC9 · Crystal structure of p-coumaric acid decarboxylase (NP_786857.1) from Lactobacillus… · 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 2GC9 · PDBe 2GC9 · UniProt Q88RY7
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