MolNFT v1 · #160897 · protein
3.65 ångströms resolution structure of hslu with an axial-channel plug
6PXK · ATP-dependent protease ATPase subunit hslu: “3.65 ångströms resolution structure of hslu with an axial-channel plug”. X-ray diffraction, 2 ligands (ADP, SO4), 20 pockets (best druggability 0.89). MolNFT v1 #160897 on GenesisL1: 3D…
- PDB
- 6PXK
- Type
- protein
- Length
- 4,728 residues
- Chains
- 13
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-dependent protease ATPase subunit hslu; Unidentified alpha helical sequence
- UniProt
- C3SIX7
- Ligands
- ADP, SO4
- Pockets
- 20 · best druggability 0.89
Structure
x-ray diffraction · 13 distinct chains · 59% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| G | ATP-dependent protease ATPase subunit hslu | protein | 374 | 60% helix, 11% strand | C3SIX7 |
| H | ATP-dependent protease ATPase subunit hslu | protein | 392 | 59% helix, 12% strand | C3SIX7 |
| I | ATP-dependent protease ATPase subunit hslu | protein | 411 | 60% helix, 10% strand | C3SIX7 |
| J | ATP-dependent protease ATPase subunit hslu | protein | 321 | 58% helix, 12% strand | C3SIX7 |
| K | ATP-dependent protease ATPase subunit hslu | protein | 429 | 58% helix, 13% strand | C3SIX7 |
| L | ATP-dependent protease ATPase subunit hslu | protein | 394 | 59% helix, 12% strand | C3SIX7 |
| A | ATP-dependent protease ATPase subunit hslu | protein | 420 | 59% helix, 12% strand | C3SIX7 |
| B | ATP-dependent protease ATPase subunit hslu | protein | 397 | 58% helix, 14% strand | C3SIX7 |
| C | ATP-dependent protease ATPase subunit hslu | protein | 425 | 59% helix, 12% strand | C3SIX7 |
| D | ATP-dependent protease ATPase subunit hslu | protein | 335 | 60% helix, 12% strand | C3SIX7 |
| E | ATP-dependent protease ATPase subunit hslu | protein | 426 | 59% helix, 12% strand | C3SIX7 |
| F | ATP-dependent protease ATPase subunit hslu | protein | 388 | 59% helix, 12% strand | C3SIX7 |
| X | Unidentified alpha helical sequence | protein | 16 | 81% helix, 0% strand | — |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 12 copies · chains G, H, I, J, K, L, A, B, C, D, E, F
- SO4 · Sulfate ion · ion · 16 copies · chains G, H, I, J, K, L, A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 895 | 0.89 | 0.91 | 97 | ADP, SO4 |
| 2 | 875 | 0.88 | 0.91 | 86 | ADP |
| 3 | 982 | 0.88 | 0.90 | 97 | ADP |
| 4 | 1115 | 0.87 | 0.88 | 106 | ADP |
| 5 | 633 | 0.87 | 0.91 | 91 | empty |
Interfaces
21 interfaces between chains.
- A–B · 2831 Ų buried · 22 hydrogen bonds · protein-protein
- E–F · 2808 Ų buried · 23 hydrogen bonds · protein-protein
- K–L · 2743 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 2616 Ų buried · 20 hydrogen bonds · protein-protein
- H–I · 2455 Ų buried · 25 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 122 modified (engineered).
Compared structures
- 6PXK · 3.65 Angstroms resolution structure of HslU with an axial-channel plug · the same entry in another collection · chain G against G, 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 C3SIX7
- Elsewhere: RCSB PDB 6PXK · PDBe 6PXK · UniProt C3SIX7
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