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Export apparatus core and inner rod of the shigella type 3 secretion system

Analyse Export apparatus core and inner rod 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
6RWY
Type
protein
Length
3,160 residues
Chains
33
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Inner rod protein; Protein mxih; Surface presentation of antigens protein spap; Surface…
UniProt
P0A223, P0A1L3, P0A1M6, P0A1M4
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 9 distinct chains · 81% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, G, H, I, J, KInner rod proteinprotein5988% helix, 0% strand—
B, C, D, E, FInner rod proteinprotein7390% helix, 0% strand—
L, M, N, O, P, Q, R, S, T, U, VProtein mxihprotein7390% helix, 0% strandP0A223
a, b, c, d, eSurface presentation of antigens protein spapprotein20874% helix, 0% strandP0A1L3
fSurface presentation of antigens protein sparprotein24072% helix, 0% strandP0A1M6
g, hSurface presentation of antigens protein spaqprotein8685% helix, 0% strandP0A1M4
iSurface presentation of antigens protein spaqprotein7589% helix, 0% strandP0A1M4
jSurface presentation of antigens protein spaqprotein6893% helix, 0% strandP0A1M4
kSurface presentation of antigens protein spaqprotein4384% helix, 0% strandP0A1M4

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16250.880.9394empty
211390.860.87151empty
34180.860.9346empty
43970.860.9349empty
510540.850.8698empty

Interfaces

107 interfaces between chains.

  • e–f · 2290 Ų buried · 14 hydrogen bonds · protein-protein
  • a–b · 2201 Ų buried · 13 hydrogen bonds · protein-protein
  • c–d · 2116 Ų buried · 16 hydrogen bonds · protein-protein
  • b–c · 2030 Ų buried · 12 hydrogen bonds · protein-protein
  • a–f · 1995 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 6RWY · Export apparatus core and inner rod of the Shigella type 3 secretion system · the same entry in another collection · chain K against K, TM-score 1.00

Analyse

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