Research workbench
Crystal structure of the zebrafish peroxisomal SCP2-thiolase (type-1) in complex with CoA
Analyse Crystal structure of the zebrafish peroxisomal SCP2-thiolase (type-1) in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6HSJ
- Type
- protein
- Length
- 774 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SCP2-thiolase (type-1)
- EC
- 2.3.1.176
- UniProt
- Q6P4V5
- Ligands
- COA
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SCP2-thiolase (type-1) (EC 2.3.1.176) | protein | 384 | 42% helix, 19% strand | Q6P4V5 |
| B | SCP2-thiolase (type-1) (EC 2.3.1.176) | protein | 390 | 43% helix, 18% strand | Q6P4V5 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains B
- ACT · Acetate ion · additive · 2 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 409 | 0.67 | 0.79 | 62 | ACT |
| 2 | 252 | 0.55 | 0.76 | 30 | empty |
| 3 | 68 | 0.37 | 0.78 | 18 | empty |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 6HSJ · Crystal structure of the zebrafish peroxisomal SCP2-thiolase (type-1) in complex 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 Q6P4V5
- Elsewhere: RCSB PDB 6HSJ · PDBe 6HSJ · UniProt Q6P4V5
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