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MolNFT v1 · #94171 · protein

Crystal structure of pas domain from the mouse EAG1 potassium channel

4HOI · Potassium voltage-gated channel subfamily H member 1: “Crystal structure of pas domain from the mouse EAG1 potassium channel”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.49). MolNFT v1 #94171 on GenesisL1: 3D…

PDB
4HOI
Type
protein
Length
447 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Potassium voltage-gated channel subfamily H member 1
UniProt
Q60603
Ligands
SO4
Pockets
4 · best druggability 0.49

Structure

x-ray diffraction · 3 distinct chains · 24% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APotassium voltage-gated channel subfamily H member 1protein11323% helix, 36% strandQ60603
BPotassium voltage-gated channel subfamily H member 1protein11423% helix, 36% strandQ60603
C, DPotassium voltage-gated channel subfamily H member 1protein11026% helix, 37% strandQ60603

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 6 copies · chains A, B, D, C

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11570.490.7827SO4
22090.480.7529empty
3790.460.8123empty
4630.290.7416empty

Interfaces

5 interfaces between chains.

  • B–C · 784 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 496 Ų buried · 3 hydrogen bonds · protein-protein
  • B–D · 294 Ų buried · 1 hydrogen bond · protein-protein
  • A–D · 122 Ų buried · 2 hydrogen bonds · protein-protein
  • C–D · 40 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4HOI · Crystal structure of PAS domain from the mouse EAG1 potassium channel · the same entry in another collection · chain A against A, TM-score 1.00
  • Q60603 · AlphaFold monomer V2.0 prediction for potassium voltage-gated channel subfamily H member… · a predicted model of the same protein · chain C against A, TM-score 0.98

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