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Crystal structure analysis of the radixin ferm domain complexed with adhesion molecule psgl-1

Analyse Crystal structure analysis of the radixin ferm domain complexed with adhesion… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2EMT
Type
protein
Length
668 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Radixin; P-selectin glycoprotein ligand 1
UniProt
P26043, Q62170
Pockets
15 · best druggability 0.60

Structure

x-ray diffraction · 4 distinct chains · 31% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRadixinprotein31335% helix, 23% strandP26043
CP-selectin glycoprotein ligand 1protein160% helix, 25% strandQ62170
DP-selectin glycoprotein ligand 1protein170% helix, 18% strandQ62170
EP-selectin glycoprotein ligand 1protein90% helix, 44% strandQ62170

Pockets

15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13360.600.7730empty
23210.580.7628empty
33790.560.7441empty
41180.550.8317empty
53540.550.7437empty

Interfaces

5 interfaces between chains.

  • B–D · 665 Ų buried · 11 hydrogen bonds · protein-protein
  • A–C · 608 Ų buried · 11 hydrogen bonds · protein-protein
  • A–E · 439 Ų buried · 7 hydrogen bonds · protein-protein
  • A–B · 207 Ų buried · 0 hydrogen bonds · protein-protein
  • B–C · 50 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 2EMT · Crystal Structure Analysis of the radixin FERM domain complexed with adhesion molecule… · the same entry in another collection · chain E against E, TM-score 1.00
  • P26043 · AlphaFold monomer V2.0 prediction for radixin (P26043) · a predicted model of the same protein · chain A against A, TM-score 0.97
  • Q62170 · AlphaFold monomer V2.0 prediction for P-selectin glycoprotein ligand 1 (Q62170) · a predicted model of the same protein · chain E against A, TM-score 0.40

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