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Crystal structure of PFS25 in complex with the transmission blocking antibody 1245

Analyse Crystal structure of PFS25 in complex with the transmission blocking antibody… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6B0G
Type
protein
Length
598 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
1245 antibody, light chain; 1245 antibody, heavy chain; 25 kda ookinete surface antigen
UniProt
P13829
Pockets
7 · best druggability 0.78

Structure

x-ray diffraction · 3 distinct chains · 7% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C1245 antibody, light chainprotein2186% helix, 50% strand—
D1245 antibody, heavy chainprotein22610% helix, 49% strand—
E25 kda ookinete surface antigenprotein1544% helix, 47% strandP13829

Ligands and binding sites

  • GOL · Glycerol · additive · 5 copies · chains D, C, E

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17910.780.8170empty
22830.560.7740empty
31070.560.8420GOL
43490.550.7443empty
51590.450.7520GOL

Interfaces

3 interfaces between chains.

  • C–D · 1943 Ų buried · 20 hydrogen bonds · protein-protein
  • D–E · 667 Ų buried · 13 hydrogen bonds · protein-protein
  • C–E · 240 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 disulfide (disulfide).

Compared structures

  • 6B0G · Crystal structure of Pfs25 in complex with the transmission blocking antibody 1245 · the same entry in another collection · chain C against C, TM-score 1.00
  • P13829 · AlphaFold monomer V2.0 prediction for 25 kda ookinete surface antigen (P13829) · a predicted model of the same protein · chain E against A, TM-score 0.99

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