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Crystal structure of the tpr domain of lgn in complex with FRMPD4/PRESO1 at 1.5 ångström resolution

Analyse Crystal structure of the tpr domain of lgn in complex with FRMPD4/PRESO1 at 1.5… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4WND
Type
protein
Length
355 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
G-protein-signaling modulator 2; Ferm and PDZ domain-containing protein 4
UniProt
P81274, Q14CM0
Ligands
SCN
Pockets
4 · best druggability 0.41

Structure

x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AG-protein-signaling modulator 2protein32984% helix, 0% strandP81274
BFerm and PDZ domain-containing protein 4protein2612% helix, 0% strandQ14CM0

Ligands and binding sites

  • SCN · Thiocyanate ion · ion · 7 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 6 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains A, B
  • PGE · Triethylene glycol · additive · chains A

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1530.410.8213empty
2620.390.8016empty
3550.320.7717PEG
4540.310.7612empty

Interfaces

1 interface between chains.

  • A–B · 1822 Ų buried · 38 hydrogen bonds · protein-protein

Compared structures

  • 4WND · Crystal structure of the TPR domain of LGN in complex with Frmpd4/Preso1 at 1.5 Angstrom… · the same entry in another collection · chain A against A, TM-score 1.00
  • P81274 · AlphaFold monomer V2.0 prediction for G-protein-signaling modulator 2 (P81274) · a predicted model of the same protein · chain A against A, TM-score 0.96
  • Q14CM0 · AlphaFold monomer V2.0 prediction for ferm and PDZ domain-containing protein 4 (Q14CM0) · a predicted model of the same protein · chain B against A, TM-score 0.30

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