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Crystal structure of tamalin PDZ-intrinsic ligand fusion protein

Analyse Crystal structure of tamalin PDZ-intrinsic ligand fusion protein in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2EGK
Type
protein
Length
354 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
General receptor for phosphoinositides 1-associated scaffold protein
UniProt
Q8R4T5
Ligands
PO4
Pockets
3 · best druggability 0.81

Structure

x-ray diffraction · 4 distinct chains · 15% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGeneral receptor for phosphoinositides 1-associated scaffold proteinprotein8916% helix, 38% strandQ8R4T5
BGeneral receptor for phosphoinositides 1-associated scaffold proteinprotein9014% helix, 44% strandQ8R4T5
CGeneral receptor for phosphoinositides 1-associated scaffold proteinprotein8815% helix, 36% strandQ8R4T5
DGeneral receptor for phosphoinositides 1-associated scaffold proteinprotein8715% helix, 38% strandQ8R4T5

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 2 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110310.810.82117PO4
2930.400.7719empty
3600.290.7415empty

Interfaces

5 interfaces between chains.

  • A–B · 1038 Ų buried · 20 hydrogen bonds · protein-protein
  • C–D · 984 Ų buried · 24 hydrogen bonds · protein-protein
  • A–C · 620 Ų buried · 15 hydrogen bonds · protein-protein
  • B–D · 584 Ų buried · 11 hydrogen bonds · protein-protein
  • B–C · 197 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 2EGK · Crystal Structure of Tamalin PDZ-Intrinsic Ligand Fusion Protein · the same entry in another collection · chain D against D, TM-score 1.00
  • Q8R4T5 · AlphaFold monomer V2.0 prediction for general receptor for phosphoinositides 1-associated… · a predicted model of the same protein · chain C against A, TM-score 0.92

Analyse

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