MolNFT v1 · #121810 · protein
Crystal structure of the central domain of yeast acetyl-CoA carboxylase
5I6E: “Crystal structure of the central domain of yeast acetyl-CoA carboxylase”. X-ray diffraction, 9 pockets (best druggability 0.78). MolNFT v1 #121810 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5I6E
- Type
- protein
- Length
- 687 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyl-CoA carboxylase
- EC
- 6.4.1.2, 6.3.4.14
- UniProt
- Q00955
- Pockets
- 9 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyl-CoA carboxylase (EC 6.4.1.2, 6.3.4.14) | protein | 687 | 44% helix, 17% strand | Q00955 |
Ligands and binding sites
- MLI · Malonate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 692 | 0.78 | 0.83 | 71 | empty |
| 2 | 237 | 0.59 | 0.80 | 43 | empty |
| 3 | 210 | 0.59 | 0.81 | 22 | empty |
| 4 | 235 | 0.58 | 0.79 | 26 | empty |
| 5 | 82 | 0.51 | 0.84 | 18 | empty |
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 5I6E · Crystal structure of the central domain of yeast acetyl-CoA carboxylase · the same entry in another collection · chain A against A, TM-score 1.00
- Q00955 · AlphaFold monomer V2.0 prediction for acetyl-CoA carboxylase (Q00955) · a predicted model of the same protein · chain A against A, TM-score 0.65
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 Q00955
- Elsewhere: RCSB PDB 5I6E · PDBe 5I6E · UniProt Q00955
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.