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Crystal structure of CALCIUM2+-free wild-type CD23 lectin domain (crystal form D)

Analyse Crystal structure of CALCIUM2+-free wild-type CD23 lectin domain (crystal form… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4J6M
Type
protein
Length
1,062 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Low affinity immunoglobulin epsilon Fc receptor
UniProt
P06734
Ligands
SO4
Pockets
8 · best druggability 0.83

Structure

x-ray diffraction · 4 distinct chains · 14% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CLow affinity immunoglobulin epsilon Fc receptorprotein13514% helix, 38% strandP06734
D, ELow affinity immunoglobulin epsilon Fc receptorprotein13414% helix, 34% strandP06734
FLow affinity immunoglobulin epsilon Fc receptorprotein13115% helix, 39% strandP06734
G, HLow affinity immunoglobulin epsilon Fc receptorprotein12915% helix, 36% strandP06734

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 4 copies · chains A, E, G, B, H, C, D, F

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19630.830.8493empty
21630.760.9343SO4
35950.670.7771empty
43510.570.7636empty
53020.540.7529empty

Interfaces

14 interfaces between chains.

  • A–G · 721 Ų buried · 16 hydrogen bonds · protein-protein
  • B–H · 707 Ų buried · 15 hydrogen bonds · protein-protein
  • C–D · 694 Ų buried · 13 hydrogen bonds · protein-protein
  • E–F · 668 Ų buried · 17 hydrogen bonds · protein-protein
  • C–H · 495 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 32 disulfide (disulfide).

Compared structures

  • 4J6M · Crystal structure of calcium2+-free wild-type CD23 lectin domain (crystal form D) · the same entry in another collection · chain H against H, TM-score 1.00
  • P06734 · AlphaFold monomer V2.0 prediction for low affinity immunoglobulin epsilon Fc receptor… · a predicted model of the same protein · chain F against A, TM-score 0.98

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