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Crystal structure of AAA+sigma 54 activator domain of the flagellar regulatory protein FlrC of Vibrio cholerae in nucleotide free state
Analyse Crystal structure of AAA+sigma 54 activator domain of the flagellar regulatory… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4QHS
- Type
- protein
- Length
- 1,703 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.3
- Source
- Vibrio cholerae
- Molecule
- Flagellar regulatory protein C
- UniProt
- A5F6D4
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · resolution 2.3 · 4 distinct chains · 44% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Flagellar regulatory protein C | protein | 244 | 43% helix, 14% strand | A5F6D4 |
| C, B, G | Flagellar regulatory protein C | protein | 243 | 45% helix, 14% strand | A5F6D4 |
| F | Flagellar regulatory protein C | protein | 242 | 43% helix, 13% strand | A5F6D4 |
| E | Flagellar regulatory protein C | protein | 244 | 45% helix, 14% strand | A5F6D4 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, G, C, B, F, E, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1055 | 0.77 | 0.79 | 95 | EDO |
| 2 | 989 | 0.77 | 0.79 | 108 | EDO |
| 3 | 947 | 0.77 | 0.79 | 97 | EDO |
| 4 | 924 | 0.76 | 0.79 | 86 | EDO |
| 5 | 1124 | 0.75 | 0.77 | 111 | EDO |
Interfaces
7 interfaces between chains.
- F–G · 868 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 865 Ų buried · 11 hydrogen bonds · protein-protein
- A–G · 840 Ų buried · 9 hydrogen bonds · protein-protein
- E–D · 829 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 827 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4QHS · Crystal structure of AAA+SIGMA 54 activator domain of the flagellar regulatory protein… · 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 A5F6D4
- Elsewhere: RCSB PDB 4QHS · PDBe 4QHS · UniProt A5F6D4
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