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Periplasmic inner membrane ring of the Shigella type 3 secretion system

Analyse Periplasmic inner membrane ring of the Shigella type 3 secretion system in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6RWX
Type
protein
Length
8,784 residues
Chains
48
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.55
Source
Shigella flexneri
Molecule
Protein MxiG; Lipoprotein MxiJ
UniProt
P0A221, Q06081
Pockets
20 · best druggability 0.88

Structure

electron microscopy · resolution 3.55 · 2 distinct chains · 38% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
S, T, R, Q, P, O, N, M, L, K, J, I, H, G, F, E, D, C, B, A, W, V, U, XProtein MxiGprotein18941% helix, 25% strandP0A221
a, b, c, d, e, f, g, h, i, j, k, l, m, n, o, p, q, r, s, t, u, v, w, xLipoprotein MxiJprotein17734% helix, 20% strandQ06081

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19800.880.90130empty
27280.860.9090empty
36980.860.9092empty
46340.850.9079empty
59850.830.8490empty

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 K against K, TM-score 1.00

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