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Structure of the outer-membrane core complex (inner ring) from a conjugative type IV secretion system

Analyse Structure of the outer-membrane core complex (inner ring) from a conjugative… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7OKN
Type
protein
Length
3,757 residues
Chains
34
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trab; Type IV conjugative transfer system lipoprotein trav
UniProt
A0A753A8N9
Pockets
20 · best druggability 0.67

Structure

electron microscopy · 2 distinct chains · 25% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, G, I, K, M, O, Q, S, U, W, Y, a, c, e, gTrabprotein18321% helix, 35% strand—
B, D, F, H, J, L, N, P, R, T, V, X, Z, b, d, f, hType IV conjugative transfer system lipoprotein travprotein3842% helix, 0% strandA0A753A8N9

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15900.670.7786empty
24030.650.7957empty
35120.650.7772empty
43630.630.7948empty
53670.630.7951empty

Interfaces

102 interfaces between chains.

  • A–E · 1677 Ų buried · 23 hydrogen bonds · protein-protein
  • K–M · 1635 Ų buried · 16 hydrogen bonds · protein-protein
  • S–U · 1634 Ų buried · 16 hydrogen bonds · protein-protein
  • C–G · 1632 Ų buried · 16 hydrogen bonds · protein-protein
  • E–I · 1631 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 34 disulfide (disulfide).

Compared structures

  • 7OKN · Structure of the outer-membrane core complex (inner ring) from a conjugative type IV… · the same entry in another collection · chain B against B, TM-score 1.00

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