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Crystal structure of selenium substituted CA2+/H+ antiporter proteinyfke

Analyse Crystal structure of selenium substituted CA2+/H+ antiporter proteinyfke in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4KJR
Type
protein
Length
636 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cation exchanger yfke
UniProt
O34840
Pockets
5 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 81% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACation exchanger yfkeprotein32581% helix, 0% strandO34840
BCation exchanger yfkeprotein31181% helix, 0% strandO34840

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111020.770.7994empty
23990.680.8049empty
33400.610.7839empty
42570.530.7537empty
5780.450.8121empty

Interfaces

1 interface between chains.

  • A–B · 575 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 modified (engineered).

Compared structures

  • 4KJR · Crystal structure of selenium substituted Ca2+/H+ antiporter proteinYfkE · the same entry in another collection · chain A against A, TM-score 1.00
  • O34840 · AlphaFold monomer V2.0 prediction for CA(2+)/H(+) antiporter chaa (O34840) · a predicted model of the same protein · chain B against A, TM-score 0.97

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