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X-ray structure of a voltage-dependent potassium channel in complex with an Fab

Analyse X-ray structure of a voltage-dependent potassium channel in complex with an Fab in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1ORQ
Type
protein
Length
657 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
6E1 Fab light chain; 6E1 Fab heavy chain; Potassium channel
UniProt
P01837, P01865, Q9YDF8
Ligands
CD, K
Pockets
7 · best druggability 0.59

Structure

x-ray diffraction · 3 distinct chains · 30% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A6E1 Fab light chainprotein2157% helix, 47% strandP01837
B6E1 Fab heavy chainprotein2195% helix, 48% strandP01865
CPotassium channelprotein22375% helix, 0% strandQ9YDF8

Ligands and binding sites

  • CD · Cadmium ion · metal · 7 copies · chains A, B, C
  • K · Potassium ion · metal · 6 copies · chains C

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

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14650.590.7453empty
21360.540.8121empty
31030.360.7420empty
4940.350.7420empty
5670.350.7720empty

Interfaces

3 interfaces between chains.

  • A–B · 2029 Ų buried · 21 hydrogen bonds · protein-protein
  • B–C · 696 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 91 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 1ORQ · X-ray structure of a voltage-dependent potassium channel in complex with an Fab · the same entry in another collection · chain A against A, TM-score 1.00
  • P01865 · AlphaFold monomer V2.0 prediction for ig gamma-2A chain C region, membrane-bound form… · a predicted model of the same protein · chain B against A, TM-score 0.52
  • P01837 · AlphaFold monomer V2.0 prediction for immunoglobulin kappa constant (P01837) · a predicted model of the same protein · chain A against A, TM-score 0.49
  • Q9YDF8 · AlphaFold monomer V2.0 prediction for voltage-gated potassium channel (Q9YDF8) · a predicted model of the same protein · chain C against A, TM-score 0.37

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