分子量: 3029.994 Da / 分子数: 1 / 由来タイプ: 合成 詳細: The core of the sequence corresponds to the recognition site of E. coli endonuclease IV
#2: DNA鎖
5'-D(*Cp*Gp*Tp*Cp*Gp*Tp*Gp*Gp*Ap*C)-3'
分子量: 3061.003 Da / 分子数: 1 / 由来タイプ: 合成
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実験情報
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実験
実験
手法: 溶液NMR
NMR実験
Conditions-ID
Experiment-ID
Solution-ID
タイプ
1
1
1
2D NOESY
1
2
1
DQF-COSY
1
3
1
2D TOCSY
1
4
1
2D31P,1Hcorrelation
1
5
1
HSQC
NMR実験の詳細
Text: For non-exchangeable protons, NOESY experiments in D2O were performed with 10s relaxation delays and mixing times of 75ms, 150ms and 250 ms. For exchangeable protons, a WATERGATE NOESY was ...Text: For non-exchangeable protons, NOESY experiments in D2O were performed with 10s relaxation delays and mixing times of 75ms, 150ms and 250 ms. For exchangeable protons, a WATERGATE NOESY was performed with a relaxation delay of 4s and 150ms mixing time.
手法: torsion angle dynamics molecular dynamics / ソフトェア番号: 1 詳細: The structure is based on a total of 502 restraints: 284 distance restraints, 80 endocyclic torsion angle restraints, 50 Watson-Crick distance and angle restraints, and 88 backbone torsion ...詳細: The structure is based on a total of 502 restraints: 284 distance restraints, 80 endocyclic torsion angle restraints, 50 Watson-Crick distance and angle restraints, and 88 backbone torsion angle restraints. The alphaA duplex structure was elucidated by a combination of DYANA and rMD/rEM in AMBER. All calculations were performed in vacuo. The final structure deposited here was obtained by coordinate averaging the final ensemble of 10 rMD/rEM structures followed by restrained energy minimization.