MolNFT v1 · #81332 · protein
Mouse 20S immunoproteasome
3UNH · Proteasome subunit alpha type-2: “Mouse 20S immunoproteasome”. X-ray diffraction, 3 ligands (K, CL, IOD), 20 pockets (best druggability 0.81). MolNFT v1 #81332 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3UNH
- Type
- protein
- Length
- 6,244 residues
- Chains
- 28
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proteasome subunit alpha type-2; Proteasome subunit alpha type-4; Proteasome subunit…
- EC
- 3.4.25.1
- UniProt
- P49722, Q9R1P0, Q9Z2U0, Q9Z2U1, Q9R1P4, O70435, Q9QUM9, O35955, Q9R1P1, Q9R1P3, P28063, O09061, P99026, P28076
- Ligands
- K, CL, IOD
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 14 distinct chains · 34% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, O | Proteasome subunit alpha type-2 (EC 3.4.25.1) | protein | 230 | 34% helix, 26% strand | P49722 |
| B, P | Proteasome subunit alpha type-4 (EC 3.4.25.1) | protein | 248 | 37% helix, 25% strand | Q9R1P0 |
| C, Q | Proteasome subunit alpha type-7 (EC 3.4.25.1) | protein | 238 | 38% helix, 23% strand | Q9Z2U0 |
| D, R | Proteasome subunit alpha type-5 (EC 3.4.25.1) | protein | 233 | 32% helix, 27% strand | Q9Z2U1 |
| E, S | Proteasome subunit alpha type-1 (EC 3.4.25.1) | protein | 238 | 34% helix, 24% strand | Q9R1P4 |
| F, T | Proteasome subunit alpha type-3 (EC 3.4.25.1) | protein | 244 | 35% helix, 26% strand | O70435 |
| G, U | Proteasome subunit alpha type-6 (EC 3.4.25.1) | protein | 243 | 39% helix, 24% strand | Q9QUM9 |
| H, V | Proteasome subunit beta type-10 (EC 3.4.25.1) | protein | 219 | 30% helix, 36% strand | O35955 |
| I, W | Proteasome subunit beta type-3 (EC 3.4.25.1) | protein | 204 | 30% helix, 33% strand | Q9R1P1 |
| J, X | Proteasome subunit beta type-2 (EC 3.4.25.1) | protein | 196 | 33% helix, 35% strand | Q9R1P3 |
| K, Y | Proteasome subunit beta type-8 (EC 3.4.25.1) | protein | 201 | 36% helix, 36% strand | P28063 |
| L, Z | Proteasome subunit beta type-1 (EC 3.4.25.1) | protein | 213 | 30% helix, 31% strand | O09061 |
| M, a | Proteasome subunit beta type-4 (EC 3.4.25.1) | protein | 216 | 35% helix, 32% strand | P99026 |
| N, b | Proteasome subunit beta type-9 (EC 3.4.25.1) | protein | 199 | 35% helix, 31% strand | P28076 |
Ligands and binding sites
- K · Potassium ion · metal · 10 copies · chains C, D, E, F, H, K, S, T, Y, N, a, b
- CL · Chloride ion · ion · 23 copies · chains A, C, B, D, E, G, H, Z, K, L, M, N, b, P, W, O, Q, R, S, U, V, a
- IOD · Iodide ion · ion · 14 copies · chains A, C, E, H, I, K, N, O, V, W, Y, b
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 | 798 | 0.81 | 0.84 | 77 | empty |
| 2 | 767 | 0.80 | 0.84 | 74 | empty |
| 3 | 785 | 0.78 | 0.82 | 112 | IOD |
| 4 | 950 | 0.76 | 0.79 | 80 | empty |
| 5 | 1078 | 0.76 | 0.78 | 97 | empty |
Interfaces
90 interfaces between chains.
- V–W · 1652 Ų buried · 25 hydrogen bonds · protein-protein
- H–I · 1645 Ų buried · 25 hydrogen bonds · protein-protein
- A–B · 1550 Ų buried · 14 hydrogen bonds · protein-protein
- O–P · 1540 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 1496 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3UNH · Mouse 20S immunoproteasome · 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 P49722
- Every structure of UniProt Q9R1P0
- Every structure of UniProt Q9Z2U0
- Every structure of UniProt Q9Z2U1
- Every structure of UniProt Q9R1P4
- Every structure of UniProt O70435
- Every structure of UniProt Q9QUM9
- Every structure of UniProt O35955
- Every structure of UniProt Q9R1P1
- Every structure of UniProt Q9R1P3
- Every structure of UniProt P28063
- Every structure of UniProt O09061
- Every structure of UniProt P99026
- Every structure of UniProt P28076
- Elsewhere: RCSB PDB 3UNH · PDBe 3UNH · UniProt P49722 · UniProt Q9R1P0 · UniProt Q9Z2U0 · UniProt Q9Z2U1 · UniProt Q9R1P4 · UniProt O70435 · UniProt Q9QUM9 · UniProt O35955 · UniProt Q9R1P1 · UniProt Q9R1P3 · UniProt P28063 · UniProt O09061 · UniProt P99026 · UniProt P28076
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