9THO

Crystal structure of the adduct formed upon reaction of [V(IV)O(acetylacetonate)2] with human serum transferrin with Fe(III) bound at the C-lobe only

これはPDB形式変換不可エントリーです。

9THO の概要

• エントリーDOI: 10.2210/pdb9tho/pdb
• 分子名称: Serotransferrin, BICARBONATE ION, GLYCEROL, ... (7 entities in total)
• 機能のキーワード: protein metalation, vanadium compounds, metal transport
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 76500.66

構造登録者

Paolillo, M.,Ferraro, G.,Banneville, A.S.,Cornaciu, I.,Pica, A.,Merlino, A. (登録日: 2025-12-03, 公開日: 2026-01-28)

主引用文献

Banneville, A.S.,Lucignano, R.,Paolillo, M.,Cuomo, V.,Chino, M.,Ferraro, G.,Picone, D.,Garribba, E.,Cornaciu-Hoffmann, I.,Pica, A.,Merlino, A.
First crystal structure of an adduct formed upon reaction of a vanadium compound with human serum transferrin.
Commun Chem, 2026

PubMed Abstract: The interaction of vanadium compounds of pharmaceutical interest with metal-transport proteins like human serum transferrin (hTF) is poorly understood. Direct structural evidence identifying vanadium binding sites on hTF is still lacking. Here, the X-ray structure of the adduct formed when the potential drug [VO(acac)], with acac = acetylacetonato, reacts with human serum transferrin with Fe bound at the C-lobe only (Fe-hTF) has been solved and compared with new structures of Fe-hTF used as controls. Structural analysis revealed the presence of a [VO] anion that can be described as a divanadate(V) anion, [VO], that has one oxygen replaced by the phenolate oxygen of Tyr188. The two vanadium centers adopt tetrahedral geometry, consistent with V behavior. The binding does not alter the overall conformation of Fe-hTF that retains the open conformation of the N-lobe and the closed conformation of the C-lobe, remaining able to be recognized by the transferrin receptor.

PubMed: 41545537
DOI: 10.1038/s42004-026-01891-1

実験手法

X-RAY DIFFRACTION (2.55 Å)