- PDB-2kz0: Solution structure of a BolA protein (ECH_0303) from Ehrlichia ch... -
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基本情報
登録情報
データベース: PDB / ID: 2kz0
タイトル
Solution structure of a BolA protein (ECH_0303) from Ehrlichia chaffeensis. Seattle Structural Genomics Center for Infectious Disease target EhchA.10365.a
要素
BolA family protein
キーワード
TRANSCRIPTION / BolA protein family / human monocytotropic ehrlichiosis / stress response / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease / SSGCID
機能・相同性
BolA-like / BolA protein / BolA-like superfamily / BolA-like protein / GMP Synthetase; Chain A, domain 3 / 2-Layer Sandwich / Alpha Beta / BolA family protein
1.5 mM [U-99% 13C; U-99% 15N] ECH_0303, 100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 90% H2O/10% D2O
90% H2O/10% D2O
2
1.0 mM [U-99% 13C; U-99% 15N] ECH_0303, 100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 100% D2O
100% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
1.5mM
ECH_0303-1
[U-99% 13C; U-99% 15N]
1
100mM
sodium chloride-2
1
20mM
TRIS-3
1
1mM
DTT-4
1
1.0mM
ECH_0303-5
[U-99% 13C; U-99% 15N]
2
100mM
sodium chloride-6
2
20mM
TRIS-7
2
1mM
DTT-8
2
試料状態
イオン強度: 0.12 / pH: 7.1 / 圧: ambient / 温度: 293 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
Varian INOVA
Varian
INOVA
600
1
Varian INOVA
Varian
INOVA
750
2
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解析
NMR software
名称
バージョン
開発者
分類
CYANA
2.1
Guntert, MumenthalerandWuthrich
構造決定
Felix
2007
AccelrysSoftwareInc.
解析
Sparky
3.115
Goddard
データ解析
CNS
1.1
Brunger, Adams, Clore, Gros, NilgesandRead
精密化
精密化
手法: torsion angle dynamics / ソフトェア番号: 1 詳細: STRUCTURE DETERMINATION WAS PERFORMED ITERATIVELY USING CYANA (AUTOMATED NOESY ASSIGNMENTS). A TOTAL OF 20 STRUCTURES OUT OF 100 WITH LOWEST TARGET FUNCTION FROM THE FINAL CYANA CALCULATION ...詳細: STRUCTURE DETERMINATION WAS PERFORMED ITERATIVELY USING CYANA (AUTOMATED NOESY ASSIGNMENTS). A TOTAL OF 20 STRUCTURES OUT OF 100 WITH LOWEST TARGET FUNCTION FROM THE FINAL CYANA CALCULATION WERE TAKEN AND REFINED BY RESTRAINED MOLECULAR DYNAMICS/ENERGY MINIMIZATION IN EXPLICIT WATER (CNS) AFTER ADDING 1% TO THE UPPER BOUNDARY LIMIT OF THE DISTANCE RESTRAINTS.
NMR constraints
NOE constraints total: 462 / NOE intraresidue total count: 190 / NOE long range total count: 79 / NOE medium range total count: 90 / NOE sequential total count: 103 / Protein phi angle constraints total count: 52 / Protein psi angle constraints total count: 52
代表構造
選択基準: closest to the average
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: 100 / 登録したコンフォーマーの数: 20