MolNFT v1 · #171420 · protein
Structure of the S. acidocaldarius 20S proteasome (SACI0613/SACI0662)
6Z46 · Proteasome subunit alpha: “Structure of the S. acidocaldarius 20S proteasome (SACI0613/SACI0662)”. X-ray diffraction, 20 pockets (best druggability 0.77). MolNFT v1 #171420 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6Z46
- Type
- protein
- Length
- 5,391 residues
- Chains
- 28
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proteasome subunit alpha; Proteasome subunit beta
- EC
- 3.4.25.1
- UniProt
- A0A0U3GK31, A0A0U3GVH3
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 27 distinct chains · 35% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proteasome subunit alpha (EC 3.4.25.1) | protein | 218 | 32% helix, 27% strand | A0A0U3GK31 |
| H | Proteasome subunit beta (EC 3.4.25.1) | protein | 183 | 35% helix, 31% strand | A0A0U3GVH3 |
| B | Proteasome subunit alpha (EC 3.4.25.1) | protein | 223 | 32% helix, 26% strand | A0A0U3GK31 |
| C | Proteasome subunit alpha (EC 3.4.25.1) | protein | 218 | 35% helix, 27% strand | A0A0U3GK31 |
| D | Proteasome subunit alpha (EC 3.4.25.1) | protein | 211 | 36% helix, 26% strand | A0A0U3GK31 |
| E, F | Proteasome subunit alpha (EC 3.4.25.1) | protein | 219 | 34% helix, 25% strand | A0A0U3GK31 |
| G | Proteasome subunit alpha (EC 3.4.25.1) | protein | 220 | 33% helix, 25% strand | A0A0U3GK31 |
| I | Proteasome subunit beta (EC 3.4.25.1) | protein | 182 | 35% helix, 31% strand | A0A0U3GVH3 |
| J | Proteasome subunit beta (EC 3.4.25.1) | protein | 180 | 36% helix, 32% strand | A0A0U3GVH3 |
| K | Proteasome subunit beta (EC 3.4.25.1) | protein | 179 | 36% helix, 31% strand | A0A0U3GVH3 |
| L | Proteasome subunit beta (EC 3.4.25.1) | protein | 181 | 35% helix, 30% strand | A0A0U3GVH3 |
| M | Proteasome subunit beta (EC 3.4.25.1) | protein | 175 | 37% helix, 31% strand | A0A0U3GVH3 |
| N | Proteasome subunit beta (EC 3.4.25.1) | protein | 183 | 34% helix, 33% strand | A0A0U3GVH3 |
| O | Proteasome subunit alpha (EC 3.4.25.1) | protein | 213 | 34% helix, 27% strand | A0A0U3GK31 |
| P | Proteasome subunit alpha (EC 3.4.25.1) | protein | 203 | 36% helix, 21% strand | A0A0U3GK31 |
| Q | Proteasome subunit alpha (EC 3.4.25.1) | protein | 201 | 35% helix, 23% strand | A0A0U3GK31 |
| R | Proteasome subunit alpha (EC 3.4.25.1) | protein | 161 | 27% helix, 20% strand | A0A0U3GK31 |
| S | Proteasome subunit alpha (EC 3.4.25.1) | protein | 189 | 36% helix, 27% strand | A0A0U3GK31 |
| T | Proteasome subunit alpha (EC 3.4.25.1) | protein | 202 | 33% helix, 28% strand | A0A0U3GK31 |
| U | Proteasome subunit alpha (EC 3.4.25.1) | protein | 205 | 33% helix, 28% strand | A0A0U3GK31 |
| V | Proteasome subunit beta (EC 3.4.25.1) | protein | 184 | 35% helix, 31% strand | A0A0U3GVH3 |
| W | Proteasome subunit beta (EC 3.4.25.1) | protein | 163 | 39% helix, 29% strand | A0A0U3GVH3 |
| X | Proteasome subunit beta (EC 3.4.25.1) | protein | 174 | 35% helix, 33% strand | A0A0U3GVH3 |
| Y | Proteasome subunit beta (EC 3.4.25.1) | protein | 177 | 35% helix, 32% strand | A0A0U3GVH3 |
| Z | Proteasome subunit beta (EC 3.4.25.1) | protein | 178 | 35% helix, 31% strand | A0A0U3GVH3 |
| a | Proteasome subunit beta (EC 3.4.25.1) | protein | 174 | 37% helix, 32% strand | A0A0U3GVH3 |
| b | Proteasome subunit beta (EC 3.4.25.1) | protein | 176 | 36% helix, 31% strand | A0A0U3GVH3 |
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 | 1198 | 0.77 | 0.79 | 110 | empty |
| 2 | 1109 | 0.77 | 0.79 | 114 | empty |
| 3 | 870 | 0.77 | 0.80 | 100 | empty |
| 4 | 607 | 0.77 | 0.83 | 62 | empty |
| 5 | 963 | 0.77 | 0.79 | 92 | empty |
Interfaces
70 interfaces between chains.
- A–G · 1458 Ų buried · 27 hydrogen bonds · protein-protein
- A–B · 1455 Ų buried · 20 hydrogen bonds · protein-protein
- D–E · 1408 Ų buried · 22 hydrogen bonds · protein-protein
- P–Q · 1397 Ų buried · 22 hydrogen bonds · protein-protein
- O–U · 1379 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 6Z46 · Structure of the S. acidocaldarius 20S proteasome (Saci0613/Saci0662) · the same entry in another collection · chain H against H, 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 A0A0U3GK31
- Every structure of UniProt A0A0U3GVH3
- Elsewhere: RCSB PDB 6Z46 · PDBe 6Z46 · UniProt A0A0U3GK31 · UniProt A0A0U3GVH3
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