2025-11-29_00000217|ligand|9RGH

X-ray structure of a polyoxidovanadate/human H-ferritin adduct obtained when the protein is treated overnight with [VIVO(acac)2]; X-ray diffraction 1.38Å

Protein #1 182 residues (96% resolved)

Raw Sequence ...

TTASTSQVRQNYHQDSEAAINRQINLELYASYVYLSMSYYFDRDDVALKNFAKYFLHQSHEEREHAEKLMKLQNQRGGRIFLQDIKKPDCDDWESGLNAMECALHLEKNVNQSLLELHKLATDKNDPHLCDFIETHYLNEQVKAIKELGDHVTNLRKMGAPESGLAEYLFDKHTLGDSDNES

Canonical Sequence ...

TTASTSQVRQNYHQDSEAAINRQINLELYASYVYLSMSYYFDRDDVALKNFAKYFLHQSHEEREHAEKLMKLQNQRGGRIFLQDIKKPDCDDWESGLNAMECALHLEKNVNQSLLELHKLATDKNDPHLCDFIETHYLNEQVKAIKELGDHVTNLRKMGAPESGLAEYLFDKHTLGDSDNES

Non polymer #2 A1JGJ

InChI=1S/36O.15V

SMILES: O=[V]123O[V]45(=O)O6[V]78(=O)O1[V]91(=O)O7[V]7%10(=O)O9[V]9%11(=O)O7[V]7%12(=O)O9[V]9%13(=O)O%11[V]%11(=O)(O12)O3[V]1(=O)(O%119)O4[V]23(=O)O1[V]1(=O)(O%13)O7[V]4(=O)(O12)O%12[V]1(=O)(O%10)O8[V]6(=O)(O53)O14

O=[V]123O[V]45(=O)O6[V]78(=O)O1[V]91(=O)O7[V]7%10(=O)O9[V]9%11(=O)O7[V]7%12(=O)O9[V]9%13(=O)O%11[V]%11(=O)(O12)O3[V]1(=O)(O%119)O4[V]23(=O)O1[V]1(=O)(O%13)O7[V]4(=O)(O12)O%12[V]1(=O)(O%10)O8[V]6(=O)(O53)O14

Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

SMILES: [Cl-]

[Cl-]

Non polymer #4 MG

InChI=1S/Mg/q+2

SMILES: [Mg+2]

[Mg+2]

Biounit #1 homo-24-mer

Reference