Research workbench
Enoyl thioester reductase from candida tropicalis
Analyse Enoyl thioester reductase from candida tropicalis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1GUF
- Type
- protein
- Length
- 728 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, mitochondrial
- EC
- 1.3.1.10, 1.3.1.38
- UniProt
- Q8WZM3
- Ligands
- NDP, SO4
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, mitochondrial (EC 1.3.1.10, 1.3.1.38) | protein | 364 | 34% helix, 25% strand | Q8WZM3 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 8 copies · chains A, B
- GOL · Glycerol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 786 | 0.78 | 0.82 | 84 | GOL, NDP |
| 2 | 782 | 0.77 | 0.81 | 83 | NDP |
| 3 | 107 | 0.39 | 0.75 | 21 | empty |
| 4 | 109 | 0.37 | 0.74 | 21 | GOL |
| 5 | 84 | 0.31 | 0.72 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 953 Ų buried · 10 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 Q8WZM3
- Elsewhere: RCSB PDB 1GUF · PDBe 1GUF · UniProt Q8WZM3
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