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MolNFT v1 · #97707 · protein

Human folate receptor beta (FOLR2) in complex with the antifolate methotrexate

4KN0: “Human folate receptor beta (FOLR2) in complex with the antifolate methotrexate”. X-ray diffraction, 4 ligands (MTX, NAG, K), 1 pocket (best druggability 0.77). MolNFT v1 #97707 on GenesisL1: 3D structure, binding sites and pockets…

PDB
4KN0
Type
protein
Length
205 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Folate receptor beta
UniProt
P14207
Ligands
MTX, NAG, K, CL
Pockets
1 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFolate receptor betaprotein20532% helix, 10% strandP14207

Ligands and binding sites

  • MTX · Methotrexate · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
  • K · Potassium ion · metal · chains A
  • CL · Chloride ion · ion · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12360.770.9028MTX

Modifications

Observed in the structure: 8 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 4KN0 · Human folate receptor beta (FOLR2) in complex with the antifolate methotrexate · 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 0.98

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