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The crystal structure of a singly capped hsluv complex with an axial pore plug and a hslu E257Q mutation
Analyse The crystal structure of a singly capped hsluv complex with an axial pore plug… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6PXI
- Type
- protein
- Length
- 1,437 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-dependent protease subunit hslv; ATP-dependent protease ATPase subunit hslu
- EC
- 3.4.25.2
- UniProt
- A0A0E0U6N7, C3SIX7
- Ligands
- ADP, SO4
- Pockets
- 10 · best druggability 0.87
Structure
x-ray diffraction · 3 distinct chains · 56% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | ATP-dependent protease subunit hslv (EC 3.4.25.2) | protein | 174 | 36% helix, 29% strand | A0A0E0U6N7 |
| E | ATP-dependent protease ATPase subunit hslu | protein | 374 | 62% helix, 10% strand | C3SIX7 |
| F | ATP-dependent protease ATPase subunit hslu | protein | 367 | 60% helix, 10% strand | C3SIX7 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains E, F
- SO4 · Sulfate ion · ion · 3 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 907 | 0.87 | 0.89 | 81 | ADP |
| 2 | 963 | 0.75 | 0.78 | 101 | empty |
| 3 | 446 | 0.71 | 0.82 | 41 | empty |
| 4 | 607 | 0.71 | 0.79 | 69 | ADP |
| 5 | 432 | 0.69 | 0.80 | 50 | empty |
Interfaces
9 interfaces between chains.
- E–F · 2336 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 763 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 656 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 631 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 469 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6PXI · The crystal structure of a singly capped HslUV complex with an axial pore plug and a HslU… · 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 A0A0E0U6N7
- Every structure of UniProt C3SIX7
- Elsewhere: RCSB PDB 6PXI · PDBe 6PXI · UniProt A0A0E0U6N7 · UniProt C3SIX7
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