MolNFT v1 · #56789 · protein
Crystal structure of human auh (3-methylglutaconyl-CoA hydratase) mixed with (AUUU)24A RNA
2ZQQ: “Crystal structure of human auh (3-methylglutaconyl-CoA hydratase) mixed with (AUUU)24A RNA”. X-ray diffraction, 18 pockets (best druggability 0.83). MolNFT v1 #56789 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2ZQQ
- Type
- protein
- Length
- 1,585 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methylglutaconyl-CoA hydratase
- EC
- 4.2.1.18
- UniProt
- Q13825
- Pockets
- 18 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, E | Methylglutaconyl-CoA hydratase (EC 4.2.1.18) | protein | 266 | 48% helix, 15% strand | Q13825 |
| B | Methylglutaconyl-CoA hydratase (EC 4.2.1.18) | protein | 265 | 51% helix, 16% strand | Q13825 |
| F | Methylglutaconyl-CoA hydratase (EC 4.2.1.18) | protein | 256 | 49% helix, 16% strand | Q13825 |
Pockets
18 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 699 | 0.83 | 0.87 | 89 | empty |
| 2 | 444 | 0.78 | 0.86 | 55 | empty |
| 3 | 148 | 0.72 | 0.91 | 31 | empty |
| 4 | 142 | 0.71 | 0.91 | 30 | empty |
| 5 | 145 | 0.67 | 0.88 | 25 | empty |
Interfaces
15 interfaces between chains.
- A–C · 1798 Ų buried · 23 hydrogen bonds · protein-protein
- E–F · 1787 Ų buried · 30 hydrogen bonds · protein-protein
- B–C · 1782 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 1756 Ų buried · 26 hydrogen bonds · protein-protein
- D–E · 1742 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 2ZQQ · Crystal structure of human AUH (3-methylglutaconyl-coa hydratase) mixed with (AUUU)24A RNA · the same entry in another collection · chain F against F, TM-score 1.00
- Q13825 · AlphaFold monomer V2.0 prediction for methylglutaconyl-CoA hydratase, mitochondrial… · a predicted model of the same protein · 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 Q13825
- Elsewhere: RCSB PDB 2ZQQ · PDBe 2ZQQ · UniProt Q13825
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