MolNFT v1 · #97441 · protein
Elucidation of the structure and reaction mechanism of sorghum bicolor hydroxycinnamoyltransferase and its structural relationship to other CoA-dependent transferases and synthases
4KE4 · Hydroxycinnamoyl-COA:SHIKIMATE hydroxycinnamoyl transferase: “Elucidation of the structure and reaction mechanism of sorghum bicolor hydroxycinnamoyltransferase and its…”. X-ray diffraction, 5 pockets (best druggability 0.82).…
- PDB
- 4KE4
- Type
- protein
- Length
- 437 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxycinnamoyl-COA:SHIKIMATE hydroxycinnamoyl transferase
- UniProt
- C5XXB7
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxycinnamoyl-COA:SHIKIMATE hydroxycinnamoyl transferase | protein | 437 | 29% helix, 23% strand | C5XXB7 |
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 | 828 | 0.82 | 0.84 | 72 | PG4, GOL |
| 2 | 132 | 0.45 | 0.77 | 23 | empty |
| 3 | 112 | 0.39 | 0.75 | 20 | empty |
| 4 | 52 | 0.34 | 0.78 | 16 | empty |
| 5 | 54 | 0.31 | 0.77 | 19 | empty |
Compared structures
- 4KE4 · Elucidation of the structure and reaction mechanism of Sorghum bicolor… · 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 C5XXB7
- Elsewhere: RCSB PDB 4KE4 · PDBe 4KE4 · UniProt C5XXB7
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