Research workbench
Crystal structure of trans-2-enoyl-CoA reductase from treponema denticola
Analyse Crystal structure of trans-2-enoyl-CoA reductase from treponema denticola in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GGO
- Type
- protein
- Length
- 1,588 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trans-2-enoyl-CoA reductase
- EC
- 1.3.1.36
- UniProt
- Q73Q47
- Pockets
- 13 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Trans-2-enoyl-CoA reductase (EC 1.3.1.36) | protein | 397 | 43% helix, 16% strand | Q73Q47 |
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1063 | 0.85 | 0.86 | 114 | empty |
| 2 | 874 | 0.85 | 0.87 | 78 | empty |
| 3 | 1115 | 0.84 | 0.85 | 89 | empty |
| 4 | 1182 | 0.84 | 0.85 | 102 | empty |
| 5 | 193 | 0.66 | 0.85 | 34 | empty |
Interfaces
5 interfaces between chains.
- C–D · 483 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 369 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 240 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 177 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 15 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4GGO · Crystal Structure of Trans-2-Enoyl-CoA Reductase from Treponema denticola · the same entry in another collection · chain D against D, TM-score 1.00
- Q73Q47 · AlphaFold monomer V2.0 prediction for trans-2-enoyl-CoA reductase [NADH] (Q73Q47) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q73Q47
- Elsewhere: RCSB PDB 4GGO · PDBe 4GGO · UniProt Q73Q47
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