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Crystal structures of the tric trimeric intracellular cation channel orthologue from sulfolobus solfataricus

Analyse Crystal structures of the tric trimeric intracellular cation channel orthologue… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5H35
Type
protein
Length
1,895 residues
Chains
9
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fab heavy chain; Fab light chain; Membrane protein tric
UniProt
A0A0E3MGX1
Ligands
PX4, NA
Pockets
20 · best druggability 0.88

Structure

x-ray diffraction · 4 distinct chains · 24% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFab heavy chainprotein2197% helix, 54% strand—
B, G, IFab light chainprotein2176% helix, 51% strand—
C, D, EMembrane protein tricprotein19586% helix, 0% strandA0A0E3MGX1
F, HFab heavy chainprotein2205% helix, 55% strand—

Ligands and binding sites

  • PX4 · 1,2-dimyristoyl-sn-glycero-3-phosphocholine · ligand · 3 copies · chains C, D, E
  • NA · Sodium ion · metal · chains C, D, E
  • GOL · Glycerol · additive · 2 copies · chains A, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18690.880.8981PX4
210160.750.77119GOL
3690.690.9521empty
41270.650.8836empty
55630.640.7664empty

Interfaces

18 interfaces between chains.

  • H–I · 1896 Ų buried · 19 hydrogen bonds · protein-protein
  • A–B · 1869 Ų buried · 17 hydrogen bonds · protein-protein
  • F–G · 1833 Ų buried · 17 hydrogen bonds · protein-protein
  • C–E · 998 Ų buried · 9 hydrogen bonds · protein-protein
  • C–D · 993 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

  • 5H35 · Crystal structures of the TRIC trimeric intracellular cation channel orthologue from… · the same entry in another collection · chain A against A, TM-score 1.00

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