MolNFT v2 · #156345 · protein
Crystal strcuture of Feruloyl-CoA hydratase lyase(FCHL) complexed with CoA
6L3P · Hydroxycinnamoyl-CoA hydratase-lyase: “Crystal strcuture of Feruloyl-CoA hydratase lyase(FCHL) complexed with CoA”. X-ray diffraction at 2.5, 1 ligand (COA), 7 pockets (best druggability 0.77). MolNFT v2 #156345 on GenesisL1: 3D…
- PDB
- 6L3P
- Type
- protein
- Length
- 487 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.5
- Source
- Pseudomonas putida KT2440
- Molecule
- Hydroxycinnamoyl-CoA hydratase-lyase
- EC
- 4.1.2.41, 4.2.1.101
- UniProt
- Q88HJ8
- Ligands
- COA
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · resolution 2.5 · 2 distinct chains · 50% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxycinnamoyl-CoA hydratase-lyase (EC 4.1.2.41, 4.2.1.101) | protein | 244 | 49% helix, 18% strand | Q88HJ8 |
| B | Hydroxycinnamoyl-CoA hydratase-lyase (EC 4.1.2.41, 4.2.1.101) | protein | 243 | 51% helix, 19% strand | Q88HJ8 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 968 | 0.77 | 0.79 | 95 | empty |
| 2 | 210 | 0.68 | 0.86 | 33 | empty |
| 3 | 401 | 0.66 | 0.79 | 33 | empty |
| 4 | 176 | 0.57 | 0.81 | 26 | GOL |
| 5 | 181 | 0.52 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 813 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6L3P · Crystal strcuture of feruloyl-CoA hydratase LYASE(FCHL) complexed with CoA · 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 Q88HJ8
- Elsewhere: RCSB PDB 6L3P · PDBe 6L3P · UniProt Q88HJ8
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