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A mutant human prolactin receptor antagonist H30A in complex with the mutant extracellular domain H188A of the human prolactin receptor

Analyse A mutant human prolactin receptor antagonist H30A in complex with the mutant… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3NCF
Type
protein
Length
392 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Prolactin; Prolactin receptor
UniProt
P01236, P16471
Ligands
NA, CL
Pockets
6 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProlactinprotein18673% helix, 0% strandP01236
BProlactin receptorprotein2063% helix, 48% strandP16471

Ligands and binding sites

  • NA · Sodium ion · metal · 3 copies · chains B, A
  • CL · Chloride ion · ion · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1590.520.8612empty
22100.480.7537empty
31330.470.7822empty
41140.450.7819empty
5650.430.8216empty

Interfaces

1 interface between chains.

  • A–B · 1204 Ų buried · 23 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 3NCF · A mutant human Prolactin receptor antagonist H30A in complex with the mutant… · the same entry in another collection · chain A against A, TM-score 1.00
  • P16471 · AlphaFold monomer V2.0 prediction for prolactin receptor (P16471) · a predicted model of the same protein · chain B against A, TM-score 1.00
  • P01236 · AlphaFold monomer V2.0 prediction for prolactin (P01236) · a predicted model of the same protein · chain A against A, TM-score 0.99

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