MolNFT v1 · #120350 · protein
Acryloyl-CoA reductase acui from ruegeria pomeroyi dss-3
5GXF · Acrylyl-CoA reductase acui: “Acryloyl-CoA reductase acui from ruegeria pomeroyi dss-3”. X-ray diffraction, 1 ligand (BR), 4 pockets (best druggability 0.77). MolNFT v1 #120350 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5GXF
- Type
- protein
- Length
- 660 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acrylyl-CoA reductase acui
- EC
- 1.3.1.84
- UniProt
- Q5LS56
- Ligands
- BR
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Acrylyl-CoA reductase acui (EC 1.3.1.84) | protein | 330 | 33% helix, 28% strand | Q5LS56 |
Ligands and binding sites
- BR · Bromide ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 561 | 0.77 | 0.83 | 62 | BR |
| 2 | 579 | 0.76 | 0.82 | 58 | BR |
| 3 | 190 | 0.50 | 0.77 | 20 | empty |
| 4 | 174 | 0.47 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1057 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
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 Q5LS56
- Elsewhere: RCSB PDB 5GXF · PDBe 5GXF · UniProt Q5LS56
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