Mass: 14194.792 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast) Gene: YHR087W / Plasmid: pET 15b / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: P38804
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Experimental details
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Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Type
1
1
1
3D 15N-separated NOESY
1
2
1
3D 13C-separated NOESY
1
3
2
4D 13C-separated NOESY
1
4
1
HNHA
NMR details
Text: BACKBONE AND SIDECHAIN ASSIGNMENTS WERE DETERMINED MANUALLY FROM TRIPLE-RESONANCE NMR DATA. NOE DISTANCE RESTRAINTS WERE DERIVED MANUALLY FROM NOESY DATA. PHI DIHEDRAL ANGLE RESTRAINTS WERE ...Text: BACKBONE AND SIDECHAIN ASSIGNMENTS WERE DETERMINED MANUALLY FROM TRIPLE-RESONANCE NMR DATA. NOE DISTANCE RESTRAINTS WERE DERIVED MANUALLY FROM NOESY DATA. PHI DIHEDRAL ANGLE RESTRAINTS WERE DERIVED FROM THE HNHA EXPERIMENT. PSI DIHEDRAL ANGLE RESTRAINTS WERE DERIVED FROM NOE RATIOS, SECONDARY STRUCTURE PROPENSITIES EVIDENT IN PRELIMINARY STRUCTURES, AND FROM ALPHA CARBON 13C CHEMICAL SHIFT TRENDS. RESIDUES 51-59 COMPRISE A POORLY-DEFINED LOOP IN THIS ENSEMBLE OF STRUCTURES. RESIDUES 92 TO 110 ARE ALSO NOT WELL-DEFINED IN THE ENSEMBLE.
Method: simulated annealing / Software ordinal: 1 Details: THE STRUCTURES ARE BASED ON A TOTAL OF 665 CONFORMATIONALLY-RESTRICTING NOE-DERIVED DISTANCE RESTRAINTS, 73 DIHEDRAL ANGLE RESTRAINTS, AND 44 HYDROGEN BOND RESTRAINTS (10.0 RESTRAINTS PER ...Details: THE STRUCTURES ARE BASED ON A TOTAL OF 665 CONFORMATIONALLY-RESTRICTING NOE-DERIVED DISTANCE RESTRAINTS, 73 DIHEDRAL ANGLE RESTRAINTS, AND 44 HYDROGEN BOND RESTRAINTS (10.0 RESTRAINTS PER RESIDUE FOR RESIDUES 4-90, EXCLUDING LOOP RESIDUES 51-59). THE 20 RESIDUE N-TERMINAL TAG (MGSSHHHHHHSSGLVPRGSH) WAS NOT INCLUDED IN THE STRUCTURE CALCULATION AND IS NOT PRESENT IN THE COORDINATES.
NMR representative
Selection criteria: combination of low energy, close to average, and few violations
NMR ensemble
Conformer selection criteria: all calculated structures submitted Conformers calculated total number: 20 / Conformers submitted total number: 20
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