Research workbench
Crystal structure of single point mutant GLU71SER P-coumaric acid decarboxylase
Analyse Crystal structure of single point mutant GLU71SER P-coumaric acid decarboxylase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WSJ
- Type
- protein
- Length
- 350 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
- NA, BA, CL
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | P-coumaric acid decarboxylase (EC 4.1.1.-) | protein | 175 | 19% helix, 41% strand | Q88RY7 |
Ligands and binding sites
- NA · Sodium ion · metal · 4 copies · chains A, B
- BA · Barium ion · metal · chains A
- CL · Chloride ion · ion · chains B
- IPA · Isopropyl alcohol · additive · 5 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 | 60 | 0.75 | 0.99 | 19 | IPA |
| 2 | 60 | 0.74 | 0.99 | 19 | IPA |
Interfaces
1 interface between chains.
- A–B · 1242 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 2WSJ · Crystal Structure of single point mutant Glu71Ser p-coumaric Acid Decarboxylase · 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 2WSJ · PDBe 2WSJ · UniProt Q88RY7
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