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A reported archaeal mechanosensitive channel is a structural homolog of marr-like transcriptional regulators

Analyse A reported archaeal mechanosensitive channel is a structural homolog of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3LFK
Type
protein
Length
455 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Marr like protein, TVG0766549
UniProt
Q97AP8
Ligands
SO4
Pockets
3 · best druggability 0.79

Structure

x-ray diffraction · 4 distinct chains · 52% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMarr like protein, TVG0766549protein12248% helix, 18% strandQ97AP8
BMarr like protein, TVG0766549protein11254% helix, 19% strandQ97AP8
CMarr like protein, TVG0766549protein11153% helix, 20% strandQ97AP8
DMarr like protein, TVG0766549protein11053% helix, 17% strandQ97AP8

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 4 copies · chains A, B
  • CIT · Citric acid · additive · chains D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110020.790.8189empty
2850.410.7815empty
3540.290.7520empty

Interfaces

5 interfaces between chains.

  • A–D · 913 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 540 Ų buried · 4 hydrogen bonds · protein-protein
  • A–C · 536 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 318 Ų buried · 3 hydrogen bonds · protein-protein
  • B–D · 31 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3LFK · A reported archaeal mechanosensitive channel is a structural homolog of MarR-like… · the same entry in another collection · chain A against A, TM-score 1.00

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