MolNFT v1 · #71794 · protein
The ternary death domain complex of MYD88, IRAK4, and IRAK2
3MOP · Myeloid differentiation primary response protein MYD88: “The ternary death domain complex of MYD88, IRAK4, and IRAK2”. X-ray diffraction, 20 pockets (best druggability 0.89). MolNFT v1 #71794 on GenesisL1: 3D structure, binding…
- PDB
- 3MOP
- Type
- protein
- Length
- 1,430 residues
- Chains
- 14
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myeloid differentiation primary response protein MYD88; Interleukin-1 receptor-associated…
- EC
- 2.7.11.1
- UniProt
- Q99836, Q9NWZ3, O43187
- Pockets
- 20 · best druggability 0.89
Structure
x-ray diffraction · 3 distinct chains · 54% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Myeloid differentiation primary response protein MYD88 | protein | 105 | 55% helix, 0% strand | Q99836 |
| G, H, I, J | Interleukin-1 receptor-associated kinase 4 (EC 2.7.11.1) | protein | 107 | 53% helix, 4% strand | Q9NWZ3 |
| K, L, M, N | Interleukin-1 receptor-associated kinase-like 2 | protein | 93 | 53% helix, 2% strand | O43187 |
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 840 | 0.89 | 0.92 | 125 | empty |
| 2 | 211 | 0.78 | 0.92 | 31 | empty |
| 3 | 135 | 0.75 | 0.93 | 29 | empty |
| 4 | 105 | 0.69 | 0.92 | 25 | empty |
| 5 | 526 | 0.68 | 0.79 | 58 | empty |
Interfaces
40 interfaces between chains.
- B–E · 656 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 651 Ų buried · 12 hydrogen bonds · protein-protein
- I–M · 647 Ų buried · 6 hydrogen bonds · protein-protein
- H–L · 641 Ų buried · 10 hydrogen bonds · protein-protein
- K–N · 629 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3MOP · The ternary Death Domain complex of MyD88, IRAK4, and IRAK2 · the same entry in another collection · chain N against N, 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 Q99836
- Every structure of UniProt Q9NWZ3
- Every structure of UniProt O43187
- Elsewhere: RCSB PDB 3MOP · PDBe 3MOP · UniProt Q99836 · UniProt Q9NWZ3 · UniProt O43187
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