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MolNFT v1 · #115408 · protein

Crystal structure of death receptor 4 (DR4; TNFFRSF10A) bound to trail (TNFSF10)

5CIR · Tumor necrosis factor ligand superfamily member 10: “Crystal structure of death receptor 4 (DR4; TNFFRSF10A) bound to trail (TNFSF10)”. X-ray diffraction, 2 ligands (ZN, CL), 10 pockets (best druggability 0.79). MolNFT v1 #115408 on…

PDB
5CIR
Type
protein
Length
752 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tumor necrosis factor ligand superfamily member 10; Tumor necrosis factor receptor…
UniProt
P50591, O00220
Ligands
ZN, CL
Pockets
10 · best druggability 0.79

Structure

x-ray diffraction · 6 distinct chains · 1% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATumor necrosis factor ligand superfamily member 10protein1492% helix, 54% strandP50591
BTumor necrosis factor ligand superfamily member 10protein1512% helix, 54% strandP50591
DTumor necrosis factor ligand superfamily member 10protein1502% helix, 54% strandP50591
ETumor necrosis factor receptor superfamily member 10Aprotein1020% helix, 33% strandO00220
FTumor necrosis factor receptor superfamily member 10Aprotein980% helix, 35% strandO00220
GTumor necrosis factor receptor superfamily member 10Aprotein1020% helix, 30% strandO00220

Ligands and binding sites

  • ZN · Zinc ion · metal · chains A, B, D
  • CL · Chloride ion · ion · chains A, B, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11170.790.9824empty
25320.690.7947empty
35210.690.7946empty
45140.680.7948empty
5630.580.8919empty

Interfaces

9 interfaces between chains.

  • B–D · 1275 Ų buried · 17 hydrogen bonds · protein-protein
  • A–D · 1270 Ų buried · 18 hydrogen bonds · protein-protein
  • A–B · 1239 Ų buried · 16 hydrogen bonds · protein-protein
  • D–G · 835 Ų buried · 13 hydrogen bonds · protein-protein
  • A–E · 762 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 21 disulfide (disulfide).

Compared structures

  • P50591 · AlphaFold monomer V2.0 prediction for tumor necrosis factor ligand superfamily member 10… · a predicted model of the same protein · chain A against A, TM-score 0.98
  • O00220 · AlphaFold monomer V2.0 prediction for tumor necrosis factor receptor superfamily member… · a predicted model of the same protein · chain F against A, TM-score 0.96

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