Research workbench
Sbhct-complex form
Analyse Sbhct-complex form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4KEC
- Type
- protein
- Length
- 434 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxycinnamoyl-COA:SHIKIMATE hydroxycinnamoyl transferase
- UniProt
- C5XXB7
- Ligands
- COA, 4KE
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxycinnamoyl-COA:SHIKIMATE hydroxycinnamoyl transferase | protein | 434 | 27% helix, 23% strand | C5XXB7 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains A
- 4KE · (3R,4S,5R)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 725 | 0.79 | 0.83 | 97 | COA, 4KE |
| 2 | 85 | 0.43 | 0.79 | 21 | empty |
| 3 | 63 | 0.35 | 0.77 | 18 | empty |
| 4 | 56 | 0.34 | 0.78 | 19 | empty |
Compared structures
- 4KEC · SbHCT-complex form · 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 4KEC · PDBe 4KEC · UniProt C5XXB7
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