- PDB-2lqm: Solution Structures of RadA intein from Pyrococcus horikoshii -
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基本情報
登録情報
データベース: PDB / ID: 2lqm
タイトル
Solution Structures of RadA intein from Pyrococcus horikoshii
要素
Pho radA intein
キーワード
UNKNOWN FUNCTION
機能・相同性
機能・相同性情報
DNA recombinase assembly / mitotic recombination / DNA strand invasion / intein-mediated protein splicing / DNA strand exchange activity / ATP-dependent DNA damage sensor activity / single-stranded DNA binding / double-stranded DNA binding / damaged DNA binding / ATP binding 類似検索 - 分子機能
Endonuclease - Pi-scei; Chain A, domain 1 / Hedgehog/Intein (Hint) domain / DNA recombination/repair protein RadA / Intein splicing domain / DNA recombination and repair protein Rad51-like, C-terminal / Rad51 / Intein C-terminal splicing region / Intein C-terminal splicing motif profile. / Hint domain C-terminal / Hint (Hedgehog/Intein) domain C-terminal region ...Endonuclease - Pi-scei; Chain A, domain 1 / Hedgehog/Intein (Hint) domain / DNA recombination/repair protein RadA / Intein splicing domain / DNA recombination and repair protein Rad51-like, C-terminal / Rad51 / Intein C-terminal splicing region / Intein C-terminal splicing motif profile. / Hint domain C-terminal / Hint (Hedgehog/Intein) domain C-terminal region / Intein N-terminal splicing region / Intein N-terminal splicing motif profile. / Hint domain N-terminal / Hint (Hedgehog/Intein) domain N-terminal region / Hint domain superfamily / DNA recombination and repair protein RecA, monomer-monomer interface / RecA family profile 2. / DNA recombination and repair protein RecA-like, ATP-binding domain / RecA family profile 1. / DNA repair Rad51/transcription factor NusA, alpha-helical / Helix-hairpin-helix domain / Helix-hairpin-helix DNA-binding motif, class 1 / Helix-hairpin-helix DNA-binding motif class 1 / Beta Complex / P-loop containing nucleoside triphosphate hydrolase / Mainly Beta 類似検索 - ドメイン・相同性
DNA repair and recombination protein RadA 類似検索 - 構成要素
内容: 0.4 mM [U-99% 13C; U-99% 15N] PhoRadA intein, 20 mM sodium phosphate, 90% H2O/10% D2O 溶媒系: 90% H2O/10% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
0.4mM
PhoRadA intein-1
[U-99% 13C; U-99% 15N]
1
20mM
potassium phosphate-2
1
試料状態
pH: 6 / 圧: ambient / 温度: 303 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
800
1
Varian INOVA
Varian
INOVA
600
2
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解析
NMR software
名称
バージョン
開発者
分類
Amber
11
Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, andKollm
精密化
VnmrJ
2.2
Varian
collection
NMRPipe
5
Delaglio, Grzesiek, Vuister, Zhu, PfeiferandBax
解析
Sparky
Goddard
chemicalshiftassignment
CYANA
3
Guntert, MumenthalerandWuthrich
構造決定
CING
GeertenW. Vuister
structurevalidation
CCPNMR
2.2
CCPN
データ解析
TALOS
TALOS+
Cornilescu, DelaglioandBax
データ解析
精密化
手法: simulated annealing / ソフトェア番号: 1
NMR constraints
NOE constraints total: 3515 / NOE intraresidue total count: 688 / NOE long range total count: 1436 / NOE medium range total count: 425 / NOE sequential total count: 966 / Protein phi angle constraints total count: 136 / Protein psi angle constraints total count: 144
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 / Maximum torsion angle constraint violation: 12.26 ° / Maximum upper distance constraint violation: 0.67 Å
NMR ensemble rms
Distance rms dev: 0.0152 Å / Distance rms dev error: 0.0024 Å