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EPB41L3 pandda analysis group deposition -- crystal structure of the ferm domain of human EPB41L3 in complex with Z2856434786

Analyse EPB41L3 pandda analysis group deposition -- crystal structure of the ferm… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5RZE
Type
protein
Length
284 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Isoform 2 of band 4.1-like protein 3
UniProt
Q9Y2J2
Ligands
RYP
Pockets
2 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIsoform 2 of band 4.1-like protein 3protein28437% helix, 25% strandQ9Y2J2

Ligands and binding sites

  • RYP · ~{N}-methyl-1-pyridin-4-yl-methanamine · ligand · chains A
  • EDO · 1,2-ethanediol · additive · 7 copies · chains A
  • DMS · Dimethyl sulfoxide · additive · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15280.720.8159DMS, EDO
2950.420.7718empty

Compared structures

  • 5RZE · EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9Y2J2 · AlphaFold monomer V2.0 prediction for band 4.1-like protein 3 (Q9Y2J2) · a predicted model of the same protein · chain A against A, TM-score 0.96

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