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Water refined solution structure of the human GRB7-SH2 domain in complex with the 10 amino acid peptide PY1139

Analyse Water refined solution structure of the human GRB7-SH2 domain in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2L4K
Type
protein
Length
130 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Growth factor receptor-bound protein 7; Receptor tyrosine-protein kinase erbb-2
EC
2.7.10.1
UniProt
Q14451, P04626
Pockets
2 · best druggability 0.44

Structure

solution nmr · 2 distinct chains · 16% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGrowth factor receptor-bound protein 7protein12018% helix, 17% strandQ14451
BReceptor tyrosine-protein kinase erbb-2 (EC 2.7.10.1)protein100% helix, 0% strandP04626

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1630.440.8215empty
2930.410.7716empty

Interfaces

1 interface between chains.

  • A–B · 710 Ų buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 2L4K · Water refined solution structure of the human Grb7-SH2 domain in complex with the 10… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q14451 · AlphaFold monomer V2.0 prediction for growth factor receptor-bound protein 7 (Q14451) · a predicted model of the same protein · chain A against A, TM-score 0.59
  • P04626 · AlphaFold monomer V2.0 prediction for receptor tyrosine-protein kinase erbb-2 (P04626) · a predicted model of the same protein · chain B against A, TM-score 0.32

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