Research workbench
Structure of grlr-grla complex
Analyse Structure of grlr-grla complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4KT5
- Type
- protein
- Length
- 317 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Grlr; Grla
- UniProt
- Q7DB61, Q7DB62
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 12% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Grlr | protein | 115 | 0% helix, 55% strand | Q7DB61 |
| B | Grlr | protein | 114 | 3% helix, 55% strand | Q7DB61 |
| C | Grla | protein | 88 | 40% helix, 25% strand | Q7DB62 |
Ligands and binding sites
- PG4 · Tetraethylene glycol · additive · 2 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 163 | 0.83 | 0.98 | 28 | PG4 |
| 2 | 174 | 0.80 | 0.94 | 33 | PG4 |
| 3 | 499 | 0.79 | 0.86 | 56 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1139 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 769 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 346 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 4KT5 · Structure of GrlR-GrlA 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
- Every structure of UniProt Q7DB61
- Every structure of UniProt Q7DB62
- Elsewhere: RCSB PDB 4KT5 · PDBe 4KT5 · UniProt Q7DB61 · UniProt Q7DB62
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