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MolNFT v1 · #27857 · protein

Crystal structure of human follicle stimulating hormone complexed with its receptor

1XWD · Glycoprotein hormones alpha chain: “Crystal structure of human follicle stimulating hormone complexed with its receptor”. X-ray diffraction, 3 ligands (NAG, BMA, SO4), 8 pockets (best druggability 0.78). MolNFT v1 #27857 on…

PDB
1XWD
Type
protein
Length
862 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycoprotein hormones alpha chain; Follitropin beta chain; Follicle stimulating hormone…
UniProt
P01215, P01225, P23945
Ligands
NAG, BMA, SO4
Pockets
8 · best druggability 0.78

Structure

x-ray diffraction · 5 distinct chains · 1% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlycoprotein hormones alpha chainprotein904% helix, 56% strandP01215
B, EFollitropin beta chainprotein1050% helix, 60% strandP01225
CFollicle stimulating hormone receptorprotein2420% helix, 28% strandP23945
DGlycoprotein hormones alpha chainprotein873% helix, 52% strandP01215
FFollicle stimulating hormone receptorprotein2330% helix, 31% strandP23945

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 10 copies · chains C, F, A, B, D, E
  • BMA · beta-D-mannopyranose · sugar
  • SO4 · Sulfate ion · ion · 3 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16700.780.8360empty
27400.780.8268empty
32410.570.7837empty
42140.560.7924empty
5810.380.7824empty

Interfaces

7 interfaces between chains.

  • A–B · 2272 Ų buried · 40 hydrogen bonds · protein-protein
  • D–E · 2218 Ų buried · 36 hydrogen bonds · protein-protein
  • D–F · 910 Ų buried · 18 hydrogen bonds · protein-protein
  • A–C · 862 Ų buried · 17 hydrogen bonds · protein-protein
  • B–C · 671 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 26 disulfide, 8 glycan (disulfide, N-glycosylation).

Compared structures

  • 1XWD · Crystal Structure of Human Follicle Stimulating Hormone Complexed with its Receptor · the same entry in another collection · chain F against F, TM-score 1.00
  • P23945 · AlphaFold monomer V2.0 prediction for follicle-stimulating hormone receptor (P23945) · a predicted model of the same protein · chain F against A, TM-score 0.99
  • P01225 · AlphaFold monomer V2.0 prediction for follitropin subunit beta (P01225) · a predicted model of the same protein · chain B against A, TM-score 0.98
  • P01215 · AlphaFold monomer V2.0 prediction for glycoprotein hormones alpha chain (P01215) · a predicted model of the same protein · chain D against A, TM-score 0.96

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