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Crystal structure of the GRB14 bps region in complex with the insulin receptor tyrosine kinase

Analyse Crystal structure of the GRB14 bps region in complex with the insulin receptor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2AUH
Type
protein
Length
337 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Insulin receptor; Growth factor receptor-bound protein 14
EC
2.7.1.112
UniProt
P06213, Q14449
Ligands
CA
Pockets
2 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AInsulin receptor (EC 2.7.1.112)protein30036% helix, 18% strandP06213
BGrowth factor receptor-bound protein 14protein3743% helix, 14% strandQ14449

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14320.670.7943CA
2800.480.8224empty

Interfaces

1 interface between chains.

  • A–B · 1233 Ų buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 modified (phosphorylation).

Compared structures

  • 2AUH · Crystal structure of the Grb14 BPS region in complex with the insulin receptor tyrosine… · the same entry in another collection · chain A against A, TM-score 1.00
  • P06213 · AlphaFold monomer V2.0 prediction for insulin receptor (P06213) · a predicted model of the same protein · chain A against A, TM-score 0.92
  • Q14449 · AlphaFold monomer V2.0 prediction for growth factor receptor-bound protein 14 (Q14449) · a predicted model of the same protein · chain B against A, TM-score 0.63

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