- PDB-2uyd: Crystal structure of the SmHasA mutant H83A -
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IDまたはキーワード:
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基本情報
登録情報
データベース: PDB / ID: 2uyd
タイトル
Crystal structure of the SmHasA mutant H83A
要素
HEMOPHORE HASA
キーワード
METAL BINDING PROTEIN / HEME / IRON / HEMOPHORE / HEME BINDING / IRON LIGATION / METAL-BINDING / HEME ACQUISITION SYSTEM / METAL-BINDING PROTEIN
機能・相同性
機能・相同性情報
extracellular region / metal ion binding 類似検索 - 分子機能
Heme-binding Protein A; Chain: A; / Haem-binding HasA / Haem-binding HasA / Haem-binding HasA superfamily / Heme-binding protein A (HasA) / 2-Layer Sandwich / Alpha Beta 類似検索 - ドメイン・相同性
ACETATE ION / PROTOPORPHYRIN IX CONTAINING FE / Hemophore HasA 類似検索 - 構成要素
ENGINEERED RESIDUE IN CHAIN X, HIS 83 TO ALA CONVEYS HEME FROM HEMOGLOBIN TO THE HASR RECEPTOR ...ENGINEERED RESIDUE IN CHAIN X, HIS 83 TO ALA CONVEYS HEME FROM HEMOGLOBIN TO THE HASR RECEPTOR WHICH RELEASES IT INTO THE BACTERIUM
配列の詳細
MUTANT WITH H83A REPLACEMENT
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実験情報
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実験
実験
手法: X線回折 / 使用した結晶の数: 1
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試料調製
結晶
マシュー密度: 5 Å3/Da / 溶媒含有率: 75.5 % / 解説: NONE
結晶化
温度: 293 K / pH: 6.5 詳細: DROPS WERE PREPARED BY MIXING 2MICROL OF THE PROTEIN SOLUTION WITH 1 MICROL OF THE RESERVOIR SOLUTION THAT CONTAINED 100 MM SODIUM CACODYLATE AT PH 6.5, 200 MM ZN(OAC)2 AND 10 % (V/V) 2- ...詳細: DROPS WERE PREPARED BY MIXING 2MICROL OF THE PROTEIN SOLUTION WITH 1 MICROL OF THE RESERVOIR SOLUTION THAT CONTAINED 100 MM SODIUM CACODYLATE AT PH 6.5, 200 MM ZN(OAC)2 AND 10 % (V/V) 2-PROPANOL. THE BROWNISH CRYSTALS GREW OVER A PERIOD OF 2 MONTHS AT 20 DEGREES C.
解像度: 2.7→40 Å / Cor.coef. Fo:Fc: 0.936 / Cor.coef. Fo:Fc free: 0.906 / SU B: 9.924 / SU ML: 0.179 / 交差検証法: THROUGHOUT / ESU R: 0.384 / ESU R Free: 0.288 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
反射数
%反射
Selection details
Rfree
0.274
494
4.8 %
RANDOM
Rwork
0.236
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obs
0.238
9813
99.2 %
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溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.4 Å / 溶媒モデル: BABINET MODEL WITH MASK