MolNFT v1 · #163240 · protein
Periplasmic inner membrane ring of the shigella type 3 secretion system
6RWX · Protein mxig: “Periplasmic inner membrane ring of the shigella type 3 secretion system”. Electron microscopy, 20 pockets (best druggability 0.88). MolNFT v1 #163240 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6RWX
- Type
- protein
- Length
- 8,784 residues
- Chains
- 48
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein mxig; Lipoprotein mxij
- UniProt
- P0A221, Q06081
- Pockets
- 20 · best druggability 0.88
Structure
electron microscopy · 2 distinct chains · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| S, T, R, Q, P, O, N, M, L, K, J, I, H, G, F, E, D, C, B, A, W, V, U, X | Protein mxig | protein | 189 | 41% helix, 25% strand | P0A221 |
| a, b, c, d, e, f, g, h, i, j, k, l, m, n, o, p, q, r, s, t, u, v, w, x | Lipoprotein mxij | protein | 177 | 34% helix, 20% strand | Q06081 |
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 | 980 | 0.88 | 0.90 | 130 | empty |
| 2 | 728 | 0.86 | 0.90 | 90 | empty |
| 3 | 698 | 0.86 | 0.90 | 92 | empty |
| 4 | 634 | 0.85 | 0.90 | 79 | empty |
| 5 | 985 | 0.83 | 0.84 | 90 | empty |
Interfaces
96 interfaces between chains.
- b–w · 2583 Ų buried · 21 hydrogen bonds · protein-protein
- e–f · 2576 Ų buried · 22 hydrogen bonds · protein-protein
- m–n · 2561 Ų buried · 17 hydrogen bonds · protein-protein
- a–x · 2544 Ų buried · 19 hydrogen bonds · protein-protein
- i–j · 2536 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 disulfide (disulfide).
Compared structures
- 6RWX · Periplasmic inner membrane ring of the Shigella type 3 secretion system · the same entry in another collection · chain J against J, 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 P0A221
- Every structure of UniProt Q06081
- Elsewhere: RCSB PDB 6RWX · PDBe 6RWX · UniProt P0A221 · UniProt Q06081
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