MolNFT v1 · #68139 · protein
Atomic structures of a bactericidal contractile nanotube in its pre- and post-contraction states
3J9Q · Sheath: “Atomic structures of a bactericidal contractile nanotube in its pre- and post-contraction states”. Electron microscopy, 20 pockets (best druggability 0.83). MolNFT v1 #68139 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3J9Q
- Type
- protein
- Length
- 13,224 residues
- Chains
- 48
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sheath; Tube
- UniProt
- Q9S574, Q9S573
- Pockets
- 20 · best druggability 0.83
Structure
electron microscopy · 2 distinct chains · 23% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, K, I, O, M, Q, H, L, J, P, N, R, X, d, a, j, g, m | Sheath | protein | 385 | 31% helix, 19% strand | Q9S574 |
| S, U, T, W, V, Z, Y, e, b, k, h, n, c, i, f, o, l, p, q, s, r, u, t, v | Tube | protein | 166 | 6% helix, 28% strand | Q9S573 |
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 | 1126 | 0.83 | 0.84 | 114 | empty |
| 2 | 1171 | 0.82 | 0.83 | 119 | empty |
| 3 | 990 | 0.82 | 0.83 | 92 | empty |
| 4 | 876 | 0.80 | 0.83 | 79 | empty |
| 5 | 865 | 0.80 | 0.83 | 103 | empty |
Interfaces
246 interfaces between chains.
- G–X · 2330 Ų buried · 40 hydrogen bonds · protein-protein
- I–a · 2329 Ų buried · 40 hydrogen bonds · protein-protein
- B–L · 2329 Ų buried · 39 hydrogen bonds · protein-protein
- E–M · 2328 Ų buried · 40 hydrogen bonds · protein-protein
- O–j · 2328 Ų buried · 40 hydrogen bonds · protein-protein
Compared structures
- 3J9Q · Atomic structures of a bactericidal contractile nanotube in its pre- and post-contraction… · the same entry in another collection · chain S against S, 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 Q9S574
- Every structure of UniProt Q9S573
- Elsewhere: RCSB PDB 3J9Q · PDBe 3J9Q · UniProt Q9S574 · UniProt Q9S573
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