MolNFT v1 · #79018 · protein
Crystal structure of HMG_COA synthase complexed with CoA
3SQZ · Putative hydroxymethylglutaryl-CoA synthase: “Crystal structure of HMG_COA synthase complexed with CoA”. X-ray diffraction, 1 ligand (COA), 4 pockets (best druggability 0.67). MolNFT v1 #79018 on GenesisL1: 3D structure, binding…
- PDB
- 3SQZ
- Type
- protein
- Length
- 388 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative hydroxymethylglutaryl-CoA synthase
- EC
- 2.3.3.10
- UniProt
- Q8DUI5
- Ligands
- COA
- Pockets
- 4 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative hydroxymethylglutaryl-CoA synthase (EC 2.3.3.10) | protein | 388 | 38% helix, 26% strand | Q8DUI5 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 285 | 0.67 | 0.83 | 31 | empty |
| 2 | 181 | 0.62 | 0.83 | 33 | empty |
| 3 | 116 | 0.49 | 0.80 | 14 | GOL |
| 4 | 116 | 0.40 | 0.76 | 17 | empty |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 3SQZ · Crystal structure of HMG_CoA synthase 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 Q8DUI5
- Elsewhere: RCSB PDB 3SQZ · PDBe 3SQZ · UniProt Q8DUI5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.