Research workbench
High resolution structure of thermus thermophilus enoyl-acyl carrier protein reductase apo-form
Analyse High resolution structure of thermus thermophilus enoyl-acyl carrier protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WYU
- Type
- protein
- Length
- 1,009 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-[acyl carrier protein] reductase
- EC
- 1.3.1.10
- UniProt
- Q5SLI9
- Ligands
- NA
- Pockets
- 6 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 50% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-[acyl carrier protein] reductase (EC 1.3.1.10) | protein | 256 | 50% helix, 19% strand | Q5SLI9 |
| B | Enoyl-[acyl carrier protein] reductase (EC 1.3.1.10) | protein | 250 | 49% helix, 20% strand | Q5SLI9 |
| C | Enoyl-[acyl carrier protein] reductase (EC 1.3.1.10) | protein | 258 | 49% helix, 19% strand | Q5SLI9 |
| D | Enoyl-[acyl carrier protein] reductase (EC 1.3.1.10) | protein | 245 | 50% helix, 20% strand | Q5SLI9 |
Ligands and binding sites
- NA · Sodium ion · metal · 3 copies · chains A, B, D
- GOL · Glycerol · additive · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1105 | 0.85 | 0.86 | 61 | empty |
| 2 | 516 | 0.79 | 0.86 | 50 | GOL |
| 3 | 471 | 0.79 | 0.86 | 50 | GOL |
| 4 | 582 | 0.68 | 0.77 | 54 | empty |
| 5 | 366 | 0.61 | 0.77 | 41 | empty |
Interfaces
6 interfaces between chains.
- B–D · 1889 Ų buried · 35 hydrogen bonds · protein-protein
- A–C · 1886 Ų buried · 36 hydrogen bonds · protein-protein
- C–D · 1783 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1748 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 764 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 2WYU · High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase… · 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 Q5SLI9
- Elsewhere: RCSB PDB 2WYU · PDBe 2WYU · UniProt Q5SLI9
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