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Crystal structure of the GRB2 SH2 domain in complex with an acyclic ligand having the sequence pyvnvp

Analyse Crystal structure of the GRB2 SH2 domain in complex with an acyclic ligand… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3N8M
Type
protein
Length
104 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Growth factor receptor-bound protein 2; Peptide
UniProt
P62993
Ligands
6NA

Structure

x-ray diffraction · 2 distinct chains · 14% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGrowth factor receptor-bound protein 2protein9915% helix, 28% strandP62993
BPeptideprotein50% helix, 0% strand—

Ligands and binding sites

  • 6NA · Hexanoic acid · ligand · chains A, B
  • GOL · Glycerol · additive · chains A, B

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

Interfaces

1 interface between chains.

  • A–B · 449 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified, 1 covalent (covalent ligand, nonstandard, phosphorylation).

Compared structures

  • 3N8M · Crystal Structure of the Grb2 SH2 Domain in Complex with An Acyclic Ligand Having the… · the same entry in another collection · chain A against A, TM-score 1.00
  • P62993 · AlphaFold monomer V2.0 prediction for growth factor receptor-bound protein 2 (P62993) · a predicted model of the same protein · chain A against A, TM-score 0.95

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