- PDB-2k3j: The solution structure of human Mia40 -
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基本情報
登録情報
データベース: PDB / ID: 2k3j
タイトル
The solution structure of human Mia40
要素
Mitochondrial intermembrane space import and assembly protein 40
キーワード
OXIDOREDUCTASE / alpha-hairpin fold / COILED COIL-HELIX-COILED COIL-HELIX DOMAIN / Mitochondrial oxidase / Protein import and folding / Alternative splicing / Mitochondrion / Protein transport / Translocation / Transport
機能・相同性
機能・相同性情報
'de novo' post-translational protein folding / peptidyl-cysteine oxidation / positive regulation of cellular respiration / mitochondrial respiratory chain complex assembly / Mitochondrial protein import / regulation of protein export from nucleus / protein import into mitochondrial intermembrane space / protein maturation by protein folding / mitochondrial DNA repair / protein-disulfide reductase activity ...'de novo' post-translational protein folding / peptidyl-cysteine oxidation / positive regulation of cellular respiration / mitochondrial respiratory chain complex assembly / Mitochondrial protein import / regulation of protein export from nucleus / protein import into mitochondrial intermembrane space / protein maturation by protein folding / mitochondrial DNA repair / protein-disulfide reductase activity / cellular response to leukemia inhibitory factor / mitochondrial intermembrane space / cellular response to oxidative stress / mitochondrion 類似検索 - 分子機能
Mitochondrial intermembrane space import and assembly protein 40 類似検索 - 構成要素
生物種
Homo sapiens (ヒト)
手法
溶液NMR / molecular dynamics
Model details
The pdb submitted file contains the coordinates of the folded region of the protein. Residues 1-44 ...The pdb submitted file contains the coordinates of the folded region of the protein. Residues 1-44 and 110-146 are therefore missing as not well-structured.
手法: 溶液NMR 詳細: The pdb submitted file contains the coordinates of the folded region of the protein. Residues 1-44 and 110-146 are therefore missing as not well-structured.
NMR実験
Conditions-ID
Experiment-ID
Solution-ID
タイプ
1
1
1
2D 1H-15N HSQC
1
2
1
2D 1H-1H NOESY
1
3
2
3DCBCA(CO)NH
1
4
2
3D HNCO
1
5
2
3D HNCA
1
6
2
3D HN(CA)CB
1
7
2
3DHBHA(CO)NH
1
8
2
3DHN(CO)CA
1
9
1
3D 1H-15N NOESY
1
10
2
3D 1H-13C NOESY
1
11
2
3D (H)CCH-TOCSY
1
12
1
2D 1H-1H TOCSY
1
13
2
3DHN(CA)CO
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試料調製
詳細
Solution-ID
内容
溶媒系
1
0.5-1 mM [U-100% 15N] Human Mia40, 2 mM DTT, 50 mM potassium phosphate, 0.5 mM EDTA, 90% H2O/10% D2O
90% H2O/10% D2O
2
0.5-1 mM [U-100% 13C; U-100% 15N] Human Mia40, 2 mM DTT, 50 mM potassium phosphate, 0.5 mM EDTA, 90% H2O/10% D2O
90% H2O/10% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
0.5mM
HumanMia40
[U-100% 15N]
1
2mM
DTT
1
50mM
potassiumphosphate
1
0.5mM
EDTA
1
0.5mM
HumanMia40
[U-100% 13C; U-100% 15N]
2
2mM
DTT
2
50mM
potassiumphosphate
2
0.5mM
EDTA
2
試料状態
イオン強度: 50 / pH: 7.0 / 圧: ambient / 温度: 298 K
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NMR測定
NMRスペクトロメーター
タイプ
製造業者
モデル
磁場強度 (MHz)
Spectrometer-ID
Bruker Avance
Bruker
AVANCE
900
1
Bruker Avance
Bruker
AVANCE
500
2
Bruker Avance
Bruker
AVANCE
600
3
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解析
NMR software
名称
バージョン
開発者
分類
TopSpin
2.1
BrukerBiospin
解析
TopSpin
2.1
BrukerBiospin
collection
CYANA
2.1
Guntert, MumenthalerandWuthrich
構造決定
Amber
8
Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... andKollm
精密化
Amber
8
Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... andKollm
geometryoptimization
CARA
KellerandWuthrich
peakpicking
CARA
KellerandWuthrich
chemicalshiftassignment
PECAN
Eghbalnia
predictionofsecondarystructure
WHAT IF
Vriend
structurevalidation
ProcheckNMR
LaskowskiandMacArthur
structurevalidation
ATNOSCANDID
1.2
Herrmann, GuntertandWuthrich
noesassignment
ATNOSCANDID
1.2
Herrmann, GuntertandWuthrich
peakpicking
精密化
手法: molecular dynamics / ソフトェア番号: 1
NMR constraints
NOE constraints total: 1321 / NOE intraresidue total count: 230 / NOE long range total count: 256 / NOE medium range total count: 398 / NOE sequential total count: 437 / Protein chi angle constraints total count: 221 / Protein other angle constraints total count: 0 / Protein phi angle constraints total count: 30 / Protein psi angle constraints total count: 30
代表構造
選択基準: fewest violations
NMRアンサンブル
コンフォーマー選択の基準: target function / 計算したコンフォーマーの数: 400 / 登録したコンフォーマーの数: 20 / Maximum lower distance constraint violation: 0 Å / Maximum torsion angle constraint violation: 9.233 ° / Maximum upper distance constraint violation: 0.258 Å