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MolNFT v1 · #178617 · protein

Crystal structure of the ni-bound human heavy-chain variant 122H-delta C-star with 2,5-furandihyrdoxamate collected at 100K

7JGK · Ferritin heavy chain: “Crystal structure of the ni-bound human heavy-chain variant 122H-delta C-star with 2,5-furandihyrdoxamate…”. X-ray diffraction, 3 ligands (V9Y, NI, NA), 1 pocket (best druggability 0.35). MolNFT v1 #178617 on…

PDB
7JGK
Type
protein
Length
174 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
V9Y, NI, NA
Pockets
1 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFerritin heavy chain (EC 1.16.3.1)protein17472% helix, 0% strandP02794

Ligands and binding sites

  • V9Y · N~2~,N~5~-dihydroxyfuran-2,5-dicarboxamide · ligand · chains A
  • NI · Nickel (II) ion · metal · 3 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

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1610.350.7816empty

Compared structures

  • 7JGK · Crystal Structure of the Ni-bound Human Heavy-chain variant 122H-delta C-star with… · 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 0.99

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