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Crystal structure of anti-ST2L antibody C2244

Analyse Crystal structure of anti-ST2L antibody C2244 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4MAU
Type
protein
Length
428 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
C2244 light chain; C2244 heavy chain
Ligands
SO4
Pockets
4 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
LC2244 light chainprotein2166% helix, 53% strand—
HC2244 heavy chainprotein2127% helix, 51% strand—

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains L, H
  • GOL · Glycerol · additive · 4 copies · chains L, H
  • FMT · Formic acid · additive · chains L

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16570.640.7566GOL
2710.300.7322empty
3680.280.7217empty
4520.260.7318empty

Interfaces

1 interface between chains.

  • L–H · 1778 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 4MAU · Crystal structure of anti-ST2L antibody C2244 · the same entry in another collection · chain L against L, TM-score 1.00

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