MolNFT v1 · #26460 · protein
Crystal structure of rsbq inhibited by pmsf
1WPR · Sigma factor sigb regulation protein rsbq: “Crystal structure of rsbq inhibited by pmsf”. X-ray diffraction, 1 ligand (PMS), 5 pockets (best druggability 0.74). MolNFT v1 #26460 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1WPR
- Type
- protein
- Length
- 533 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sigma factor sigb regulation protein rsbq
- UniProt
- O07015
- Ligands
- PMS
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sigma factor sigb regulation protein rsbq | protein | 268 | 48% helix, 19% strand | O07015 |
| B | Sigma factor sigb regulation protein rsbq | protein | 265 | 48% helix, 19% strand | O07015 |
Ligands and binding sites
- PMS · phenylmethanesulfonic acid · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 663 | 0.74 | 0.81 | 55 | empty |
| 2 | 55 | 0.74 | 0.99 | 20 | PMS |
| 3 | 56 | 0.74 | 0.99 | 21 | PMS |
| 4 | 58 | 0.61 | 0.92 | 19 | empty |
| 5 | 75 | 0.31 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 748 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
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 O07015
- Elsewhere: RCSB PDB 1WPR · PDBe 1WPR · UniProt O07015
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