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Crystal structure of the coiled-coil domain of human tricellulin

Analyse Crystal structure of the coiled-coil domain of human tricellulin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5N7K
Type
protein
Length
442 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Marvel domain-containing protein 2
UniProt
Q8N4S9
Pockets
8 · best druggability 0.77

Structure

x-ray diffraction · 4 distinct chains · 84% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMarvel domain-containing protein 2protein10684% helix, 0% strandQ8N4S9
BMarvel domain-containing protein 2protein11585% helix, 1% strandQ8N4S9
CMarvel domain-containing protein 2protein10784% helix, 0% strandQ8N4S9
DMarvel domain-containing protein 2protein11482% helix, 1% strandQ8N4S9

Pockets

8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12400.770.9028empty
22740.650.8228empty
32410.470.7329empty
4760.400.7820empty
5520.370.7911empty

Interfaces

5 interfaces between chains.

  • B–D · 1069 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 918 Ų buried · 14 hydrogen bonds · protein-protein
  • C–D · 890 Ų buried · 13 hydrogen bonds · protein-protein
  • A–D · 93 Ų buried · 1 hydrogen bond · protein-protein
  • B–C · 53 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5N7K · Crystal structure of the coiled-coil domain of human tricellulin · the same entry in another collection · chain D against D, TM-score 1.00
  • Q8N4S9 · AlphaFold monomer V2.0 prediction for marvel domain-containing protein 2 (Q8N4S9) · a predicted model of the same protein · chain C against A, TM-score 0.94

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