MolNFT v1 · #123379 · protein
Hsluv complex
5JI3 · ATP-dependent protease subunit hslv: “Hsluv complex”. X-ray diffraction, 1 ligand (DAT), 13 pockets (best druggability 0.88). MolNFT v1 #123379 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5JI3
- Type
- protein
- Length
- 1,424 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
- B7LA29, P0A6H6
- Ligands
- DAT
- Pockets
- 13 · best druggability 0.88
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 | 39% helix, 31% strand | B7LA29 |
| E | ATP-dependent protease ATPase subunit hslu | protein | 375 | 61% helix, 9% strand | P0A6H6 |
| F | ATP-dependent protease ATPase subunit hslu | protein | 353 | 59% helix, 11% strand | P0A6H6 |
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
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 980 | 0.88 | 0.89 | 106 | DAT |
| 2 | 894 | 0.74 | 0.78 | 98 | empty |
| 3 | 267 | 0.63 | 0.81 | 34 | DAT |
| 4 | 134 | 0.62 | 0.86 | 24 | empty |
| 5 | 122 | 0.53 | 0.82 | 20 | empty |
Interfaces
8 interfaces between chains.
- E–F · 2261 Ų buried · 27 hydrogen bonds · protein-protein
- C–D · 790 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 656 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 595 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 472 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 5JI3 · HslUV complex · the same entry in another collection · chain F against F, TM-score 1.00
- B7LA29 · AlphaFold monomer V2.0 prediction for ATP-dependent protease subunit hslv (B7LA29) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P0A6H6 · AlphaFold monomer V2.0 prediction for ATP-dependent protease ATPase subunit hslu (P0A6H6) · a predicted model of the same protein · chain F against A, TM-score 0.97
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 B7LA29
- Every structure of UniProt P0A6H6
- Elsewhere: RCSB PDB 5JI3 · PDBe 5JI3 · UniProt B7LA29 · UniProt P0A6H6
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