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The structure of the complex between complement receptor CR2 and its ligand complement fragment C3D

Analyse The structure of the complex between complement receptor CR2 and its ligand… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3OED
Type
protein
Length
848 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Complement C3; Complement receptor type 2
UniProt
P01024, P20023
Pockets
9 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BComplement C3protein29461% helix, 2% strandP01024
C, DComplement receptor type 2protein1300% helix, 41% strandP20023

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17760.840.8772empty
28560.840.8662empty
35290.650.7755empty
42320.600.8029empty
51130.490.8017empty

Interfaces

5 interfaces between chains.

  • A–C · 1231 Ų buried · 24 hydrogen bonds · protein-protein
  • B–D · 1177 Ų buried · 16 hydrogen bonds · protein-protein
  • C–D · 542 Ų buried · 2 hydrogen bonds · protein-protein
  • C–B · 89 Ų buried · 1 hydrogen bond · protein-protein
  • A–D · 83 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

  • 3OED · The structure of the complex between complement receptor CR2 and its ligand complement… · the same entry in another collection · chain D against D, TM-score 1.00
  • P20023 · AlphaFold monomer V2.0 prediction for complement receptor type 2 (P20023) · a predicted model of the same protein · chain C against A, TM-score 0.96
  • P01024 · AlphaFold monomer V2.0 prediction for complement C3 (P01024) · a predicted model of the same protein · chain A against A, TM-score 0.90

Analyse

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