Research workbench
Crystal structure of staphylococcus aureus response regulator arlr receiver domain
Analyse Crystal structure of staphylococcus aureus response regulator arlr receiver… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6IS3
- Type
- protein
- Length
- 240 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Response regulator arlr
- UniProt
- Q2YY03
- Ligands
- CA
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Response regulator arlr | protein | 121 | 45% helix, 20% strand | Q2YY03 |
| A | Response regulator arlr | protein | 119 | 46% helix, 20% strand | Q2YY03 |
Ligands and binding sites
- CA · Calcium ion · metal · chains C
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains C, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 56 | 0.63 | 0.93 | 10 | MES |
| 2 | 128 | 0.45 | 0.78 | 21 | empty |
Interfaces
1 interface between chains.
- C–A · 1061 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 6IS3 · Crystal Structure of Staphylococcus aureus response regulator ArlR receiver domain · the same entry in another collection · chain C against C, TM-score 1.00
- Q2YY03 · AlphaFold monomer V2.0 prediction for response regulator arlr (Q2YY03) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q2YY03
- Elsewhere: RCSB PDB 6IS3 · PDBe 6IS3 · UniProt Q2YY03
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