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MolNFT v1 · #161390 · protein

MLOK1 model from single particle analysis of 2D crystals, class 7 (intermediate conformation)

6QD3 · Cyclic nucleotide-gated potassium channel MLL3241: “MLOK1 model from single particle analysis of 2D crystals, class 7 (intermediate conformation)”. Electron microscopy, 1 ligand (K), 20 pockets (best druggability 0.87). MolNFT v1…

PDB
6QD3
Type
protein
Length
1,420 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cyclic nucleotide-gated potassium channel MLL3241
UniProt
Q98GN8
Ligands
K
Pockets
20 · best druggability 0.87

Structure

electron microscopy · 1 distinct chain · 54% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DCyclic nucleotide-gated potassium channel MLL3241protein35554% helix, 7% strandQ98GN8

Ligands and binding sites

  • K · Potassium ion · metal · 2 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18690.870.8996empty
29620.730.7797empty
38520.730.7784empty
48690.730.7787empty
5590.690.9517empty

Interfaces

6 interfaces between chains.

  • B–C · 2284 Ų buried · 14 hydrogen bonds · protein-protein
  • A–D · 2281 Ų buried · 15 hydrogen bonds · protein-protein
  • C–D · 2264 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 2261 Ų buried · 14 hydrogen bonds · protein-protein
  • A–C · 59 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6QD3 · MloK1 model from single particle analysis of 2D crystals, class 7 (intermediate… · the same entry in another collection · chain D against D, TM-score 1.00
  • Q98GN8 · AlphaFold monomer V2.0 prediction for cyclic nucleotide-gated potassium channel MLL3241… · a predicted model of the same protein · chain C against A, TM-score 0.73

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