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
1H,13C-HSQC
1
6
1
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. THIS STRUCTURE WAS FURTHER REFINED BY RMD IN VACUO WITH AN ADDITIONAL 25 C-H RESIDUAL DIPOLAR COUPLINGS, FOLLOWED BY REM.