MolNFT v1 · #122342 · protein
Crystal structure of designed two-component self-assembling icosahedral cage I32-28
5IM6 · Designed self-assembling icosahedral cage I32-28 trimeric…: “Crystal structure of designed two-component self-assembling icosahedral cage I32-28”. X-ray diffraction, 20 pockets (best druggability 0.75). MolNFT v1 #122342 on…
- PDB
- 5IM6
- Type
- protein
- Length
- 6,000 residues
- Chains
- 40
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Designed self-assembling icosahedral cage I32-28 trimeric subunit; Designed…
- UniProt
- Q2SZ09, Q9RSW5
- Pockets
- 20 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T | Designed self-assembling icosahedral cage I32-28 trimeric subunit | protein | 152 | 71% helix, 3% strand | Q2SZ09 |
| U, V, W, X, Y, Z, a, b, c, d, e, f, g, h, i, j, k, l, m, n | Designed self-assembling icosahedral cage I32-28 dimeric subunit | protein | 148 | 30% helix, 44% strand | Q9RSW5 |
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 | 970 | 0.75 | 0.78 | 97 | empty |
| 2 | 957 | 0.75 | 0.78 | 97 | empty |
| 3 | 869 | 0.74 | 0.78 | 86 | empty |
| 4 | 70 | 0.73 | 0.97 | 18 | empty |
| 5 | 67 | 0.73 | 0.98 | 18 | empty |
Interfaces
48 interfaces between chains.
- j–k · 1030 Ų buried · 11 hydrogen bonds · protein-protein
- Z–a · 1028 Ų buried · 11 hydrogen bonds · protein-protein
- g–i · 1023 Ų buried · 10 hydrogen bonds · protein-protein
- W–Y · 1023 Ų buried · 10 hydrogen bonds · protein-protein
- V–d · 1015 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 5IM6 · Crystal structure of designed two-component self-assembling icosahedral cage I32-28 · the same entry in another collection · chain B against B, 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 Q2SZ09
- Every structure of UniProt Q9RSW5
- Elsewhere: RCSB PDB 5IM6 · PDBe 5IM6 · UniProt Q2SZ09 · UniProt Q9RSW5
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