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MolNFT v1 · #59309 · protein

Crystal structure of the insulin receptor kinase in complex with IRS2 krlb phosphopeptide

3BU6 · Insulin receptor subunit beta: “Crystal structure of the insulin receptor kinase in complex with IRS2 krlb phosphopeptide”. X-ray diffraction, 3 pockets (best druggability 0.64). MolNFT v1 #59309 on GenesisL1: 3D structure, binding…

PDB
3BU6
Type
protein
Length
311 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Insulin receptor subunit beta; Insulin receptor substrate 2
EC
2.7.10.1
UniProt
P06213, P81122
Pockets
3 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AInsulin receptor subunit beta (EC 2.7.10.1)protein29736% helix, 19% strandP06213
BInsulin receptor substrate 2protein1421% helix, 36% strandP81122

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12830.640.8141empty
2940.420.7823empty
3560.250.7318empty

Interfaces

1 interface between chains.

  • A–B · 1136 Ų buried · 28 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (phosphorylation).

Compared structures

  • 3BU6 · Crystal structure of the insulin receptor kinase in complex with IRS2 KRLB phosphopeptide · 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 0.94
  • P81122 · AlphaFold monomer V2.0 prediction for insulin receptor substrate 2 (P81122) · a predicted model of the same protein · chain B against A, TM-score 0.33

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