1ZNM
A zinc finger with an artificial beta-turn, original sequence taken from the third zinc finger domain of the human transcriptional repressor protein YY1 (YING and YANG 1, a delta transcription factor), nmr, 34 structures
SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | ROESY | 6.0 | 298 | |||||
2 | NOESY | 6.0 | 298 | |||||
3 | COSY | 6.0 | 298 | |||||
4 | TOCSY | 6.0 | 298 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | AMX | 600 |
2 | Varian | VXR600 | 600 |
NMR Refinement | ||
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Method | Details | Software |
DISTANCE GEOMETRY, SIMULATED ANNEALING | THE STRUCTURES WERE CALCULATED USING AN AB-INITIO SIMULATED ANNEALING PROTOCOL ESSENTIALLY AS SUPPLIED WITH X-PLOR 3.851, STARTING FROM STRUCTURES WITH RANDOMIZED PHI AND PSI ANGLES. THE ZINC ION WAS INCORPORATED WITH THE APPROPRIATE GEOMETRIC CONSTRAINTS TO PRODUCE TETRAHEDRAL ZINC CO-ORDINATION. | X-PLOR |
NMR Ensemble Information | |
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Conformer Selection Criteria | NO NOE VIOLATIONS ABOVE 0.2 ANGSTROM AND 5 DEGREE DIHEDRAL ANGLE |
Conformers Calculated Total Number | 100 |
Conformers Submitted Total Number | 34 |
Computation: NMR Software | ||||
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# | Classification | Version | Software Name | Author |
1 | refinement | X-PLOR | BRUNGER | |
2 | structure solution | X-PLOR |