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Structure of heterotrimeric lymphotoxin LTA1B2 bound to lymphotoxin beta receptor ltbr and anti-lta Fab

Analyse Structure of heterotrimeric lymphotoxin LTA1B2 bound to lymphotoxin beta… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4MXW
Type
protein
Length
1,868 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tumor necrosis factor receptor superfamily member 3; Anti-lymphotoxin alpha antibody…
UniProt
P36941, P01374, Q06643
Pockets
20 · best druggability 0.79

Structure

x-ray diffraction · 10 distinct chains · 3% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
STumor necrosis factor receptor superfamily member 3protein790% helix, 27% strandP36941
V, LAnti-lymphotoxin alpha antibody light chainprotein2115% helix, 49% strand—
WAnti-lymphotoxin alpha antibody heavy chainprotein2124% helix, 50% strand—
X, ALymphotoxin-alphaprotein1342% helix, 53% strandP01374
YLymphotoxin-betaprotein1312% helix, 58% strandQ06643
ZLymphotoxin-betaprotein1342% helix, 57% strandQ06643
BLymphotoxin-betaprotein1262% helix, 56% strandQ06643
DLymphotoxin-betaprotein1352% helix, 56% strandQ06643
HAnti-lymphotoxin alpha antibody heavy chainprotein2126% helix, 46% strand—
RTumor necrosis factor receptor superfamily member 3protein1490% helix, 21% strandP36941

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11300.790.9736empty
21250.780.9633empty
36150.690.7843empty
44800.690.7952empty
54050.660.7943empty

Interfaces

18 interfaces between chains.

  • V–W · 1794 Ų buried · 6 hydrogen bonds · protein-protein
  • H–L · 1770 Ų buried · 5 hydrogen bonds · protein-protein
  • X–Z · 1015 Ų buried · 7 hydrogen bonds · protein-protein
  • X–Y · 972 Ų buried · 20 hydrogen bonds · protein-protein
  • A–D · 959 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 25 disulfide (disulfide).

Compared structures

  • 4MXW · Structure of heterotrimeric lymphotoxin LTa1b2 bound to lymphotoxin beta receptor LTbR… · the same entry in another collection · chain H against H, TM-score 1.00

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