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Induced-fit and allosteric effects upon polyene binding revealed by crystal structures of the dynemicin thioesterase
Analyse Induced-fit and allosteric effects upon polyene binding revealed by crystal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2XFL
- Type
- protein
- Length
- 1,111 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DYNE7
- UniProt
- Q84HI7
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 25% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DYNE7 | protein | 137 | 25% helix, 45% strand | Q84HI7 |
| B, D, G, H | DYNE7 | protein | 141 | 26% helix, 46% strand | Q84HI7 |
| C, E | DYNE7 | protein | 136 | 25% helix, 46% strand | Q84HI7 |
| F | DYNE7 | protein | 138 | 25% helix, 46% strand | Q84HI7 |
Pockets
10 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 941 | 0.83 | 0.85 | 72 | empty |
| 2 | 922 | 0.83 | 0.85 | 77 | empty |
| 3 | 297 | 0.78 | 0.89 | 39 | empty |
| 4 | 344 | 0.78 | 0.88 | 44 | empty |
| 5 | 400 | 0.78 | 0.86 | 44 | empty |
Interfaces
14 interfaces between chains.
- E–F · 1012 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 1003 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 987 Ų buried · 13 hydrogen bonds · protein-protein
- G–H · 977 Ų buried · 12 hydrogen bonds · protein-protein
- E–G · 558 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2XFL · Induced-fit and allosteric effects upon polyene binding revealed by crystal structures of… · 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 Q84HI7
- Elsewhere: RCSB PDB 2XFL · PDBe 2XFL · UniProt Q84HI7
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