MolNFT v1 · #124597 · protein
Crystal structure of arabidopsis thaliana hct in complex with P- coumaroyl-CoA
5KJT · Shikimate O-hydroxycinnamoyltransferase: “Crystal structure of arabidopsis thaliana hct in complex with P- coumaroyl-CoA”. X-ray diffraction, 1 ligand (WCA), 5 pockets (best druggability 0.82). MolNFT v1 #124597 on GenesisL1: 3D…
- PDB
- 5KJT
- Type
- protein
- Length
- 431 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Shikimate O-hydroxycinnamoyltransferase
- EC
- 2.3.1.133
- UniProt
- Q9FI78
- Ligands
- WCA
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Shikimate O-hydroxycinnamoyltransferase (EC 2.3.1.133) | protein | 431 | 26% helix, 23% strand | Q9FI78 |
Ligands and binding sites
- WCA · p-coumaroyl-CoA · ligand · chains A
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 | 598 | 0.82 | 0.87 | 69 | WCA |
| 2 | 127 | 0.41 | 0.75 | 25 | empty |
| 3 | 98 | 0.38 | 0.76 | 21 | empty |
| 4 | 71 | 0.37 | 0.78 | 16 | empty |
| 5 | 64 | 0.33 | 0.76 | 20 | empty |
Compared structures
- 5KJT · Crystal structure of Arabidopsis thaliana HCT in complex with p-coumaroyl-CoA · the same entry in another collection · chain A against A, TM-score 1.00
- Q9FI78 · AlphaFold monomer V2.0 prediction for shikimate O-hydroxycinnamoyltransferase (Q9FI78) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9FI78
- Elsewhere: RCSB PDB 5KJT · PDBe 5KJT · UniProt Q9FI78
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