Research workbench
Crystal Structure of the Binary Complex of AgrE C264A mutant with L-arginine
Analyse Crystal Structure of the Binary Complex of AgrE C264A mutant with L-arginine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6LRH
- Type
- protein
- Length
- 1,339 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.7051
- Source
- Nostoc sp. (strain PCC 7120 / SAG 25.82 / UTEX 2576)
- Molecule
- Alr4995 protein
- UniProt
- Q8YMD9
- Ligands
- ARG
- Pockets
- 19 · best druggability 0.78
Structure
x-ray diffraction · resolution 2.7051 · 2 distinct chains · 34% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alr4995 protein | protein | 675 | 34% helix, 23% strand | Q8YMD9 |
| B | Alr4995 protein | protein | 664 | 34% helix, 23% strand | Q8YMD9 |
Ligands and binding sites
- ARG · Arginine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 143 | 0.78 | 0.95 | 28 | empty |
| 2 | 79 | 0.76 | 0.98 | 19 | empty |
| 3 | 59 | 0.71 | 0.97 | 22 | empty |
| 4 | 499 | 0.67 | 0.78 | 48 | empty |
| 5 | 329 | 0.64 | 0.80 | 33 | empty |
Interfaces
1 interface between chains.
- A–B · 1204 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 6LRH · Crystal structure of the binary complex of agre C264A mutant with L- arginine · 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 6LRH · PDBe 6LRH · UniProt Q8YMD9
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