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X-ray structure of the CCL2 lectin in complex with sialyl lewis X

Analyse X-ray structure of the CCL2 lectin in complex with sialyl lewis X in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4USO
Type
protein
Length
531 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.95
Source
COPRINOPSIS CINEREA
Molecule
CCL2 lectin
UniProt
B3GA02
Ligands
NAG, GAL, SIA, FUC

Structure

x-ray diffraction · resolution 1.95 · 4 distinct chains · 3% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACCL2 lectinprotein1364% helix, 47% strandB3GA02
BCCL2 lectinprotein1352% helix, 47% strandB3GA02
CCCL2 lectinprotein1302% helix, 47% strandB3GA02
DCCL2 lectinprotein1305% helix, 47% strandB3GA02

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
  • GAL · beta-D-galactopyranose · sugar · chains A
  • SIA · N-acetyl-alpha-neuraminic acid · sugar · chains A
  • FUC · alpha-L-fucopyranose · sugar · chains A

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

Interfaces

2 interfaces between chains.

  • C–D · 693 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 688 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 4USO · X-ray structure of the CCL2 lectin in complex with sialyl lewis X · the same entry in another collection · chain A against A, TM-score 1.00

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