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GCN4PLI derivative with ALPHA/BETA/CYCLIC-gamma amino acid substitution pattern

Analyse GCN4PLI derivative with ALPHA/BETA/CYCLIC-gamma amino acid substitution pattern in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4HJB
Type
protein
Length
118 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GCN4PLI(ALPHA/BETA/CYCLIC-gamma)
Ligands
ACE

Structure

x-ray diffraction · 2 distinct chains · 86% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, DGCN4PLI(ALPHA/BETA/CYCLIC-gamma)protein3080% helix, 0% strand—
A, BGCN4PLI(ALPHA/BETA/CYCLIC-gamma)protein2993% helix, 0% strand—

Ligands and binding sites

  • ACE · Acetyl group · ligand · 4 copies · chains C, A, B, D

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

Interfaces

4 interfaces between chains.

  • C–A · 840 Ų buried · 5 hydrogen bonds · protein-protein
  • B–D · 787 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 153 Ų buried · 1 hydrogen bond · protein-protein
  • A–D · 152 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 12 modified, 4 covalent (nonstandard, covalent ligand).

Compared structures

  • 4HJB · GCN4pLI derivative with alpha/beta/cyclic-gamma amino acid substitution pattern · the same entry in another collection · chain D against D, TM-score 0.97

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