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MolNFT v1 · #136635 · protein

Cryo-EM structure of the mal tir domain filament

5UZB · TOLL/INTERLEUKIN-1 receptor domain-containing adapter…: “Cryo-EM structure of the mal tir domain filament”. Electron microscopy, 20 pockets (best druggability 0.72). MolNFT v1 #136635 on GenesisL1: 3D structure, binding sites and…

PDB
5UZB
Type
protein
Length
2,002 residues
Chains
14
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
TOLL/INTERLEUKIN-1 receptor domain-containing adapter protein
UniProt
P58753
Pockets
20 · best druggability 0.72

Structure

electron microscopy · 1 distinct chain · 50% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, K, L, M, NTOLL/INTERLEUKIN-1 receptor domain-containing adapter proteinprotein14350% helix, 15% strandP58753

Pockets

20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18710.720.7764empty
26400.720.7965empty
39200.720.7664empty
46610.720.7873empty
57300.710.7893empty

Interfaces

27 interfaces between chains.

  • A–C · 589 Ų buried · 12 hydrogen bonds · protein-protein
  • E–K · 584 Ų buried · 10 hydrogen bonds · protein-protein
  • G–I · 583 Ų buried · 10 hydrogen bonds · protein-protein
  • A–M · 577 Ų buried · 11 hydrogen bonds · protein-protein
  • B–D · 538 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 disulfide (disulfide).

Compared structures

  • 5UZB · Cryo-EM structure of the MAL TIR domain filament · the same entry in another collection · chain N against N, TM-score 1.00

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