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MolNFT v1 · #163228 · protein

Mxid N0 N1 and mxig C-terminal domains of the shigella type 3 secretion system

6RWK · Outer membrane protein mxid: “Mxid N0 N1 and mxig C-terminal domains of the shigella type 3 secretion system”. Electron microscopy, 20 pockets (best druggability 0.57). MolNFT v1 #163228 on GenesisL1: 3D structure, binding sites and…

PDB
6RWK
Type
protein
Length
2,688 residues
Chains
32
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Outer membrane protein mxid; Protein mxig
UniProt
Q04641, P0A221
Pockets
20 · best druggability 0.57

Structure

electron microscopy · 2 distinct chains · 30% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
X, Y, Z, 0, 2, 4, 6, 8, x, y, z, 1, 3, 5, 7, 9Outer membrane protein mxidprotein13837% helix, 31% strandQ04641
A, D, G, J, M, P, S, U, B, E, H, K, N, Q, T, VProtein mxigprotein300% helix, 40% strandP0A221

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11770.570.8128empty
2810.560.8621empty
3810.560.8620empty
4920.560.8520empty
52610.550.7735empty

Interfaces

48 interfaces between chains.

  • 8–7 · 1100 Ų buried · 14 hydrogen bonds · protein-protein
  • Z–y · 1096 Ų buried · 14 hydrogen bonds · protein-protein
  • X–9 · 1094 Ų buried · 14 hydrogen bonds · protein-protein
  • 4–3 · 1094 Ų buried · 14 hydrogen bonds · protein-protein
  • 2–1 · 1093 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 6RWK · MxiD N0 N1 and MxiG C-terminal domains of the Shigella type 3 secretion system · the same entry in another collection · chain z against z, TM-score 1.00

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