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Crystal structure of human H-chain ferritin variant 157C delta C-star modified with a raft agent soaked in an acrylate solution

Analyse Crystal structure of human H-chain ferritin variant 157C delta C-star modified… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6WYF
Type
protein
Length
172 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferritin heavy chain
EC
1.16.3.1
UniProt
P02794
Ligands
RFT, CA, FE, NA
Pockets
2 · best druggability 0.32

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFerritin heavy chain (EC 1.16.3.1)protein17273% helix, 0% strandP02794

Ligands and binding sites

  • RFT · butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate · ligand · chains A
  • CA · Calcium ion · metal · 11 copies · chains A
  • FE · Fe (III) ion · metal · 2 copies · chains A
  • NA · Sodium ion · metal · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1590.320.7715empty
2600.300.7415empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 6WYF · Crystal structure of Human H-chain Ferritin variant 157C Delta C-star Modified with a… · the same entry in another collection · chain A against A, TM-score 1.00
  • P02794 · AlphaFold monomer V2.0 prediction for ferritin heavy chain (P02794) · a predicted model of the same protein · chain A against A, TM-score 1.00

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