Research workbench
Crystal structure of a putative ecf-type sigma factor negative effector from bacillus anthracis str. sterne
Analyse Crystal structure of a putative ecf-type sigma factor negative effector from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3FH3
- Type
- protein
- Length
- 293 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative ecf-type sigma factor negative effector
- UniProt
- Q81RD4
- Ligands
- NI
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 78% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative ecf-type sigma factor negative effector | protein | 146 | 78% helix, 1% strand | Q81RD4 |
| B | Putative ecf-type sigma factor negative effector | protein | 147 | 78% helix, 1% strand | Q81RD4 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 473 | 0.71 | 0.81 | 34 | empty |
| 2 | 456 | 0.71 | 0.81 | 36 | empty |
| 3 | 152 | 0.58 | 0.82 | 41 | empty |
Interfaces
1 interface between chains.
- A–B · 1664 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3FH3 · Crystal structure of a putative ECF-type sigma factor negative effector from Bacillus… · 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 Q81RD4
- Elsewhere: RCSB PDB 3FH3 · PDBe 3FH3 · UniProt Q81RD4
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