MolNFT v1 · #12865 · protein
Crystal structure of thermus aquaticus RNA polymerase sigma subunit fragment containing regions 1.2 to 3.1
1KU2 · Sigma factor siga: “Crystal structure of thermus aquaticus RNA polymerase sigma subunit fragment containing regions 1.2 to 3.1”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.77). MolNFT v1 #12865 on GenesisL1…
- PDB
- 1KU2
- Type
- protein
- Length
- 480 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sigma factor siga
- UniProt
- Q9EZJ8
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Sigma factor siga | protein | 240 | 69% helix, 0% strand | Q9EZJ8 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 94 | 0.77 | 0.98 | 20 | empty |
| 2 | 212 | 0.60 | 0.81 | 26 | empty |
| 3 | 165 | 0.49 | 0.77 | 20 | empty |
| 4 | 120 | 0.41 | 0.75 | 21 | empty |
| 5 | 90 | 0.35 | 0.75 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 2237 Ų buried · 45 hydrogen bonds · protein-protein
Compared structures
- 1KU2 · Crystal Structure of Thermus aquaticus RNA Polymerase Sigma Subunit Fragment Containing… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9EZJ8 · AlphaFold monomer V2.0 prediction for RNA polymerase sigma factor siga (Q9EZJ8) · a predicted model of the same protein · chain A against A, TM-score 0.67
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 Q9EZJ8
- Elsewhere: RCSB PDB 1KU2 · PDBe 1KU2 · UniProt Q9EZJ8
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