Research workbench
Crystal structure of choe D285N mutant acyl-enzyme
Analyse Crystal structure of choe D285N mutant acyl-enzyme in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6UR0
- Type
- protein
- Length
- 573 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Choe
- EC
- 3.1.-.-
- UniProt
- Q9HUP2
- Ligands
- ETM
- Pockets
- 5 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Choe (EC 3.1.-.-) | protein | 287 | 45% helix, 11% strand | Q9HUP2 |
| B | Choe (EC 3.1.-.-) | protein | 286 | 44% helix, 12% strand | Q9HUP2 |
Ligands and binding sites
- ETM · 2-(trimethylammonium)ethyl thiol · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 113 | 0.49 | 0.80 | 22 | ETM |
| 2 | 128 | 0.47 | 0.78 | 23 | ETM |
| 3 | 116 | 0.41 | 0.76 | 26 | empty |
| 4 | 142 | 0.38 | 0.73 | 32 | empty |
| 5 | 59 | 0.33 | 0.77 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 348 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 2 modified (disulfide, nonstandard).
Compared structures
- 6UR0 · Crystal structure of ChoE D285N mutant acyl-enzyme · 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 Q9HUP2
- Elsewhere: RCSB PDB 6UR0 · PDBe 6UR0 · UniProt Q9HUP2
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