MolNFT v1 · #7358 · protein
Crystal structures of the hslvu peptidase-ATPase complex reveal an ATP-dependent proteolysis mechanism
1G4A · ATP-dependent hsl protease ATP-binding subunit hslu: “Crystal structures of the hslvu peptidase-ATPase complex reveal an ATP-dependent proteolysis mechanism”. X-ray diffraction, 1 ligand (DAT), 15 pockets (best druggability 0.89).…
- PDB
- 1G4A
- Type
- protein
- Length
- 1,404 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-dependent hsl protease ATP-binding subunit hslu; ATP-dependent protease hslv
- EC
- 3.4.99.-
- UniProt
- P0A6H5, P0A7B8
- Ligands
- DAT
- Pockets
- 15 · best druggability 0.89
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E, F | ATP-dependent hsl protease ATP-binding subunit hslu | protein | 356 | 48% helix, 9% strand | P0A6H5 |
| B, A, D, C | ATP-dependent protease hslv (EC 3.4.99.-) | protein | 173 | 22% helix, 22% strand | P0A7B8 |
Ligands and binding sites
- DAT · 2'-deoxyadenosine-5'-diphosphate · ligand · 2 copies · chains E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 989 | 0.89 | 0.90 | 130 | DAT |
| 2 | 601 | 0.71 | 0.79 | 81 | DAT |
| 3 | 384 | 0.70 | 0.82 | 58 | empty |
| 4 | 69 | 0.70 | 0.96 | 25 | empty |
| 5 | 54 | 0.62 | 0.93 | 21 | empty |
Interfaces
9 interfaces between chains.
- E–F · 2315 Ų buried · 20 hydrogen bonds · protein-protein
- B–A · 716 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 678 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 617 Ų buried · 2 hydrogen bonds · protein-protein
- D–C · 493 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 1G4A · Crystal structures of the hslvu peptidase-ATPase complex reveal an ATP-dependent… · the same entry in another collection · chain C against C, TM-score 1.00
- P0A6H5 · AlphaFold monomer V2.0 prediction for ATP-dependent protease ATPase subunit hslu (P0A6H5) · a predicted model of the same protein · chain E against A, TM-score 0.96
- P0A7B8 · AlphaFold monomer V2.0 prediction for ATP-dependent protease subunit hslv (P0A7B8) · a predicted model of the same protein · chain B against A, TM-score 0.94
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 P0A6H5
- Every structure of UniProt P0A7B8
- Elsewhere: RCSB PDB 1G4A · PDBe 1G4A · UniProt P0A6H5 · UniProt P0A7B8
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