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Crystal structure of an ai-designed tim-barrel F2C

Analyse Crystal structure of an ai-designed tim-barrel F2C in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7MCC
Type
protein
Length
190 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ai-designed tim-barrel F2C
Ligands
SO4
Pockets
2 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAi-designed tim-barrel F2Cprotein19050% helix, 19% strand—

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 4 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11530.630.8431SO4
21980.520.7729empty

Compared structures

  • 7MCC · Crystal structure of an AI-designed TIM-barrel F2C · the same entry in another collection · chain A against A, TM-score 1.00

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