Research workbench
Crystal structure of TRE/LOXLTR complex
Analyse Crystal structure of TRE/LOXLTR complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5U91
- Type
- protein + DNA
- Length
- 1,451 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tre recombinase protein; DNA (37-mer)
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 6 distinct chains · 55% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tre recombinase protein | protein | 330 | 53% helix, 5% strand | — |
| B | Tre recombinase protein | protein | 327 | 56% helix, 8% strand | — |
| E | Tre recombinase protein | protein | 326 | 56% helix, 6% strand | — |
| F | Tre recombinase protein | protein | 320 | 55% helix, 7% strand | — |
| C, G | DNA (37-mer) | dna | 37 | — | — |
| D, H | DNA (37-mer) | dna | 37 | — | — |
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 806 | 0.82 | 0.86 | 89 | empty |
| 2 | 994 | 0.82 | 0.83 | 112 | empty |
| 3 | 475 | 0.82 | 0.89 | 35 | empty |
| 4 | 674 | 0.78 | 0.83 | 78 | empty |
| 5 | 421 | 0.71 | 0.82 | 42 | empty |
Interfaces
16 interfaces between chains.
- A–B · 2100 Ų buried · 18 hydrogen bonds · protein-protein
- E–F · 2036 Ų buried · 21 hydrogen bonds · protein-protein
- B–E · 1705 Ų buried · 19 hydrogen bonds · protein-protein
- G–H · 1665 Ų buried · 145 hydrogen bonds · nucleic-nucleic
- A–F · 1654 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 5U91 · Crystal structure of Tre/loxLTR complex · 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
- Elsewhere: RCSB PDB 5U91 · PDBe 5U91
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