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NMR structure for a 3-stranded parallel beta-sheet

Analyse NMR structure for a 3-stranded parallel beta-sheet in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2N4N
Type
protein
Length
21 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Designed beta sheet
Ligands
ACE, 4G6, 4FU, NH2

Structure

solution nmr · 1 distinct chain · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADesigned beta sheetprotein210% helix, 0% strand—

Ligands and binding sites

  • ACE · Acetyl group · ligand · chains A
  • 4G6 · 2-methylpropane-1,2-diamine · ligand · chains A
  • 4FU · (1R,2S)-cyclohexane-1,2-dicarboxylic acid · ligand · chains A
  • NH2 · Amino group · ion · chains A

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

Modifications

Observed in the structure: 5 covalent, 1 d-amino (covalent ligand, D-amino acid).

Compared structures

  • 2N4N · NMR structure for a 3-stranded parallel beta-sheet · the same entry in another collection · chain A against A, TM-score 1.00

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