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Crystal structure of mthk pore

Analyse Crystal structure of mthk pore in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4HYO
Type
protein
Length
656 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Calcium-gated potassium channel mthk
UniProt
O27564
Ligands
K
Pockets
17 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, HCalcium-gated potassium channel mthkprotein8278% helix, 0% strandO27564

Ligands and binding sites

  • K · Potassium ion · metal · 8 copies · chains A, B, C, D, E, F, G, H
  • HEZ · Hexane-1,6-diol · additive · 12 copies · chains A, F, B, C, D, E, G, H

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110340.750.7753empty
26770.740.8044empty
36970.730.7944empty
4730.450.8116empty
51310.440.7521empty

Interfaces

13 interfaces between chains.

  • E–G · 828 Ų buried · 6 hydrogen bonds · protein-protein
  • B–C · 824 Ų buried · 6 hydrogen bonds · protein-protein
  • B–D · 823 Ų buried · 6 hydrogen bonds · protein-protein
  • E–H · 820 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 820 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 4HYO · Crystal Structure of MthK Pore · the same entry in another collection · chain H against H, TM-score 1.00
  • O27564 · AlphaFold monomer V2.0 prediction for calcium-gated potassium channel mthk (O27564) · a predicted model of the same protein · chain A against A, TM-score 0.97

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