Research workbench
Crystal structure of PvHCT in complex with p-coumaroyl-CoA and protocatechuate
Analyse Crystal structure of PvHCT in complex with p-coumaroyl-CoA and protocatechuate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5FAN
- Type
- protein
- Length
- 435 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.901
- Source
- Panicum virgatum
- Molecule
- Hydroxycinnamoyl-CoA shikimate/quinate hydroxycinnamoyltransferase 2
- UniProt
- R9RYW2
- Ligands
- WCA, DHB
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · resolution 1.901 · 1 distinct chain · 29% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxycinnamoyl-CoA shikimate/quinate hydroxycinnamoyltransferase 2 | protein | 435 | 29% helix, 24% strand | R9RYW2 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 511 | 0.79 | 0.86 | 68 | WCA, DHB |
| 2 | 148 | 0.49 | 0.78 | 24 | empty |
| 3 | 101 | 0.41 | 0.77 | 17 | empty |
| 4 | 58 | 0.40 | 0.81 | 12 | empty |
| 5 | 98 | 0.35 | 0.74 | 16 | empty |
Compared structures
- 5FAN · Crystal structure of pvhct in complex with P-coumaroyl-CoA and protocatechuate · 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 R9RYW2
- Elsewhere: RCSB PDB 5FAN · PDBe 5FAN · UniProt R9RYW2
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