Research workbench
Crystal structure of red flour beetle NR2E1/TLX
Analyse Crystal structure of red flour beetle NR2E1/TLX in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4XAI
- Type
- protein
- Length
- 1,169 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltose-binding periplasmic PROTEIN,TAILLESS ortholog; Grunge, isoform J
- EC
- 3.5.1.-
- UniProt
- P0AEY0, Q9NCL0, M9PHT1
- Ligands
- GLC
- Pockets
- 11 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 53% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Maltose-binding periplasmic PROTEIN,TAILLESS ortholog | protein | 565 | 54% helix, 12% strand | P0AEY0, Q9NCL0 |
| P | Grunge, isoform J (EC 3.5.1.-) | protein | 21 | 38% helix, 0% strand | M9PHT1 |
| Q | Grunge, isoform J (EC 3.5.1.-) | protein | 18 | 44% helix, 0% strand | M9PHT1 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 562 | 0.74 | 0.82 | 46 | empty |
| 2 | 916 | 0.74 | 0.78 | 74 | GLC |
| 3 | 608 | 0.73 | 0.80 | 49 | empty |
| 4 | 272 | 0.70 | 0.84 | 28 | GLC |
| 5 | 488 | 0.68 | 0.79 | 44 | empty |
Interfaces
3 interfaces between chains.
- B–Q · 803 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 761 Ų buried · 4 hydrogen bonds · protein-protein
- A–P · 735 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4XAI · Crystal Structure of red flour beetle NR2E1/TLX · 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 P0AEY0
- Every structure of UniProt Q9NCL0
- Every structure of UniProt M9PHT1
- Elsewhere: RCSB PDB 4XAI · PDBe 4XAI · UniProt P0AEY0 · UniProt Q9NCL0 · UniProt M9PHT1
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