Research workbench
Crystal structure of unliganded agre
Analyse Crystal structure of unliganded agre in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6LRF
- Type
- protein
- Length
- 1,352 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ALR4995 protein
- UniProt
- Q8YMD9
- Pockets
- 17 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALR4995 protein | protein | 671 | 35% helix, 24% strand | Q8YMD9 |
| B | ALR4995 protein | protein | 681 | 37% helix, 24% strand | Q8YMD9 |
Pockets
17 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 73 | 0.75 | 0.98 | 21 | empty |
| 2 | 75 | 0.72 | 0.96 | 21 | empty |
| 3 | 517 | 0.71 | 0.81 | 48 | empty |
| 4 | 595 | 0.67 | 0.77 | 55 | empty |
| 5 | 337 | 0.64 | 0.80 | 35 | empty |
Interfaces
1 interface between chains.
- A–B · 1220 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 34 modified (engineered).
Compared structures
- 6LRF · Crystal structure of unliganded AgrE · 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 Q8YMD9
- Elsewhere: RCSB PDB 6LRF · PDBe 6LRF · UniProt Q8YMD9
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