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The structure of the M53A mutant of Caulobacter crescentus clpS protease adaptor protein in complex with WLFVQRDSKE peptide
Analyse The structure of the M53A mutant of Caulobacter crescentus clpS protease… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3G1B
- Type
- protein
- Length
- 167 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.448
- Source
- Caulobacter vibrioides; SYNTHETIC CONSTRUCT
- Molecule
- ATP-dependent Clp protease adapter protein clpS; 10-residue peptide
- UniProt
- Q9A5I0
- Ligands
- MG
- Pockets
- 2 · best druggability 0.33
Structure
x-ray diffraction · resolution 1.448 · 3 distinct chains · 52% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP-dependent Clp protease adapter protein clpS | protein | 80 | 54% helix, 25% strand | Q9A5I0 |
| B | ATP-dependent Clp protease adapter protein clpS | protein | 81 | 52% helix, 27% strand | Q9A5I0 |
| C, D | 10-residue peptide | protein | 3 | 0% helix, 33% strand | — |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 95 | 0.33 | 0.73 | 18 | empty |
| 2 | 59 | 0.26 | 0.73 | 13 | empty |
Interfaces
3 interfaces between chains.
- A–B · 507 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 310 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 302 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3G1B · The structure of the M53A mutant of caulobacter crescentus clps protease adaptor protein… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9A5I0 · AlphaFold monomer V2.0 prediction for ATP-dependent clp protease adapter protein clps… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9A5I0
- Elsewhere: RCSB PDB 3G1B · PDBe 3G1B · UniProt Q9A5I0
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