MolNFT v1 · #154926 · protein
ATP dependent protease hslv from staphylococcus aureus
6KR1 · ATP-dependent protease subunit hslv: “ATP dependent protease hslv from staphylococcus aureus”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.67). MolNFT v1 #154926 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6KR1
- Type
- protein
- Length
- 2,050 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-dependent protease subunit hslv
- EC
- 3.4.25.2
- UniProt
- P65796
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.67
Structure
x-ray diffraction · 9 distinct chains · 36% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, G, J | ATP-dependent protease subunit hslv (EC 3.4.25.2) | protein | 176 | 36% helix, 29% strand | P65796 |
| B | ATP-dependent protease subunit hslv (EC 3.4.25.2) | protein | 168 | 36% helix, 25% strand | P65796 |
| C, H | ATP-dependent protease subunit hslv (EC 3.4.25.2) | protein | 168 | 35% helix, 30% strand | P65796 |
| D | ATP-dependent protease subunit hslv (EC 3.4.25.2) | protein | 177 | 36% helix, 29% strand | P65796 |
| E | ATP-dependent protease subunit hslv (EC 3.4.25.2) | protein | 168 | 35% helix, 26% strand | P65796 |
| F | ATP-dependent protease subunit hslv (EC 3.4.25.2) | protein | 169 | 37% helix, 30% strand | P65796 |
| I | ATP-dependent protease subunit hslv (EC 3.4.25.2) | protein | 164 | 36% helix, 27% strand | P65796 |
| K | ATP-dependent protease subunit hslv (EC 3.4.25.2) | protein | 167 | 37% helix, 32% strand | P65796 |
| L | ATP-dependent protease subunit hslv (EC 3.4.25.2) | protein | 173 | 35% helix, 27% strand | P65796 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 9 copies · chains A, D, G, H, J, K
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 857 | 0.67 | 0.74 | 92 | SO4 |
| 2 | 565 | 0.67 | 0.77 | 80 | SO4 |
| 3 | 241 | 0.64 | 0.83 | 33 | empty |
| 4 | 559 | 0.63 | 0.75 | 50 | empty |
| 5 | 143 | 0.60 | 0.85 | 24 | empty |
Interfaces
28 interfaces between chains.
- B–H · 824 Ų buried · 6 hydrogen bonds · protein-protein
- C–I · 821 Ų buried · 7 hydrogen bonds · protein-protein
- F–L · 821 Ų buried · 4 hydrogen bonds · protein-protein
- A–G · 800 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 799 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 6KR1 · ATP dependent protease HslV from Staphylococcus aureus · the same entry in another collection · chain L against L, 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 P65796
- Elsewhere: RCSB PDB 6KR1 · PDBe 6KR1 · UniProt P65796
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