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MolNFT v1 · #182491 · protein

The crystal structure of light in complex with hvem and CD160

7MSG · Tumor necrosis factor ligand superfamily member 14…: “The crystal structure of light in complex with hvem and CD160”. X-ray diffraction, 2 ligands (NAG, BMA), 9 pockets (best druggability 0.76). MolNFT v1 #182491 on GenesisL1: 3D…

PDB
7MSG
Type
protein
Length
1,044 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tumor necrosis factor ligand superfamily member 14, membrane form; CD160 antigen, soluble…
UniProt
O43557, O95971, Q92956
Ligands
NAG, BMA
Pockets
9 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 3% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CTumor necrosis factor ligand superfamily member 14, membrane formprotein1422% helix, 56% strandO43557
D, E, FCD160 antigen, soluble FORM,TUMOR necrosis factor receptor superfamily member 14protein2064% helix, 50% strandO95971, Q92956

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains D, E, F
  • BMA · beta-D-mannopyranose · sugar · 3 copies

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16680.760.8278empty
24940.710.8156empty
33950.690.8155empty
43230.690.8347empty
5830.670.9220empty

Interfaces

9 interfaces between chains.

  • A–C · 956 Ų buried · 20 hydrogen bonds · protein-protein
  • B–C · 955 Ų buried · 20 hydrogen bonds · protein-protein
  • A–B · 953 Ų buried · 20 hydrogen bonds · protein-protein
  • A–F · 743 Ų buried · 10 hydrogen bonds · protein-protein
  • B–D · 736 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 33 disulfide, 6 glycan (disulfide, N-glycosylation).

Compared structures

  • 7MSG · The crystal structure of LIGHT in complex with HVEM and CD160 · the same entry in another collection · chain F against F, TM-score 1.00
  • O43557 · AlphaFold monomer V2.0 prediction for tumor necrosis factor ligand superfamily member 14… · a predicted model of the same protein · chain A against A, TM-score 0.97
  • O95971 · AlphaFold monomer V2.0 prediction for CD160 antigen (O95971) · a predicted model of the same protein · chain F against A, TM-score 0.50
  • Q92956 · AlphaFold monomer V2.0 prediction for tumor necrosis factor receptor superfamily member… · a predicted model of the same protein · chain D against A, TM-score 0.48

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