Research workbench
Crystal structure of sigma-54 interaction domain of putative transcriptional response regulator from neisseria gonorrhoeae
Analyse Crystal structure of sigma-54 interaction domain of putative transcriptional… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3CO5
- Type
- protein
- Length
- 266 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative two-component system transcriptional response regulator
- UniProt
- Q5F5Q1
- Pockets
- 4 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative two-component system transcriptional response regulator | protein | 134 | 41% helix, 20% strand | Q5F5Q1 |
| B | Putative two-component system transcriptional response regulator | protein | 132 | 39% helix, 20% strand | Q5F5Q1 |
Ligands and binding sites
- BME · Beta-mercaptoethanol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 348 | 0.57 | 0.76 | 33 | empty |
| 2 | 323 | 0.54 | 0.75 | 36 | empty |
| 3 | 67 | 0.31 | 0.75 | 16 | empty |
| 4 | 53 | 0.26 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1582 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified, 1 covalent, 1 disulfide (engineered, additive adduct, disulfide).
Compared structures
- 3CO5 · Crystal structure of sigma-54 interaction domain of putative transcriptional response… · 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 Q5F5Q1
- Elsewhere: RCSB PDB 3CO5 · PDBe 3CO5 · UniProt Q5F5Q1
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