Human folate receptor beta (FOLR2) in complex with antifolate pemetrexed

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 14% strand (DSSP).

Ligands and binding sites

• LYA · 2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid · ligand · 3 copies · chains A, B, C
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A, B, C
• K · Potassium ion · metal · 3 copies · chains A, B, C
• CL · Chloride ion · ion · 3 copies · chains A, B, C

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

Pockets

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

Interfaces

3 interfaces between chains.

• A–B · 556 Ų buried · 9 hydrogen bonds · protein-protein
• B–C · 552 Ų buried · 2 hydrogen bonds · protein-protein
• A–C · 333 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 disulfide, 3 glycan (disulfide, N-glycosylation).

Compared structures

• 4KN2 · Human folate receptor beta (FOLR2) in complex with antifolate pemetrexed · the same entry in another collection · chain A against A, TM-score 1.00
• P14207 · AlphaFold monomer V2.0 prediction for folate receptor beta (P14207) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P14207
• Elsewhere: RCSB PDB 4KN2 · PDBe 4KN2 · UniProt P14207