Research workbench
High resolution structure of thermus thermophilus enoyl-acyl carrier protein reductase NAD-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
- 2WYV
- Type
- protein
- Length
- 1,014 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
- NAD, NA
- Pockets
- 7 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 48% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Enoyl-[acyl carrier protein] reductase (EC 1.3.1.10) | protein | 257 | 49% helix, 19% strand | Q5SLI9 |
| B | Enoyl-[acyl carrier protein] reductase (EC 1.3.1.10) | protein | 247 | 48% helix, 19% strand | Q5SLI9 |
| C | Enoyl-[acyl carrier protein] reductase (EC 1.3.1.10) | protein | 253 | 47% helix, 19% strand | Q5SLI9 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains B, D
- NA · Sodium ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1164 | 0.85 | 0.86 | 53 | empty |
| 2 | 604 | 0.81 | 0.86 | 63 | NAD |
| 3 | 507 | 0.79 | 0.86 | 51 | empty |
| 4 | 638 | 0.75 | 0.81 | 51 | empty |
| 5 | 555 | 0.66 | 0.77 | 54 | NAD |
Interfaces
6 interfaces between chains.
- A–D · 1910 Ų buried · 36 hydrogen bonds · protein-protein
- B–C · 1905 Ų buried · 36 hydrogen bonds · protein-protein
- C–D · 1802 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 1756 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 730 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 2WYV · 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 2WYV · PDBe 2WYV · UniProt Q5SLI9
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