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MolNFT v1 · #92299 · protein

Crystal structure of the de novo designed fluorinated peptide ALPHA4F3D

4G3B: “Crystal structure of the de novo designed fluorinated peptide ALPHA4F3D”. X-ray diffraction, 1 ligand (ACE). MolNFT v1 #92299 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4G3B
Type
protein
Length
52 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ALPHA4F3D
Ligands
ACE

Structure

x-ray diffraction · 1 distinct chain · 88% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BALPHA4F3Dprotein2688% helix, 0% strand—

Ligands and binding sites

  • ACE · Acetyl group · ligand · chains B

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

Interfaces

1 interface between chains.

  • A–B · 753 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified, 1 covalent (nonstandard, covalent ligand).

Compared structures

  • 4G3B · Crystal structure of the de novo designed fluorinated peptide alpha4F3d · the same entry in another collection · chain A against A, TM-score 1.00

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