PTSSYSTEM, N, N'-DIACETYLCHITOBIOSE-SPECIFICIIACOMPONENT / EIIA-CHB / N / N'-DIACETYLCHITOBIOSE-PERMEASE IIA COMPONENT / PHOSPHOTRANSFERASE ENZYME II A ...EIIA-CHB / N / N'-DIACETYLCHITOBIOSE-PERMEASE IIA COMPONENT / PHOSPHOTRANSFERASE ENZYME II A COMPONENT / EIII-CHB
Mass: 11256.186 Da / Num. of mol.: 3 / Fragment: RESIDUES 14-116 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) ESCHERICHIA COLI (E. coli) / Plasmid: PET11A / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) References: UniProt: P17335, UniProt: P69791*PLUS, protein-Npi-phosphohistidine-sugar phosphotransferase
Compound details
ENGINEERED RESIDUE ASP 92 LEU (RESIDUE 79 IN COORDINATES).
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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
(1) TROSY TRIPLE RESONANCE FOR ASSIGNMENT OF PROTEIN
Method: SIMULATED ANNEALING IN TORSION ANG SPACE / Software ordinal: 1 Details: THE TARGET FUNCTION COMPRISES TERMS FOR THE NOE-DERIVED INTERPROTON DISTANCE RESTRAINTS, TORSION ANGLE RESTRAINTS, 13CALPHA/BETA CHEMICAL SHIFT RESTRAINTS, AND RESIDUAL DIPOLAR COUPLING ...Details: THE TARGET FUNCTION COMPRISES TERMS FOR THE NOE-DERIVED INTERPROTON DISTANCE RESTRAINTS, TORSION ANGLE RESTRAINTS, 13CALPHA/BETA CHEMICAL SHIFT RESTRAINTS, AND RESIDUAL DIPOLAR COUPLING RESTRAINTS (N-H, N-C' AND C'-CA). NON-BONDED INTERACTIONS ARE REPRESENTED BY A QUARTIC VAN DER WAALS REPULSION TERM, TORSION ANGLE AND HYDROGEN BONDING DATABASE POTENTIALS OF MEAN FORCE, AND A RADIUS OF GYRATION RESTRAINT. IN THIS ENTRY THE LAST COLUMN REPRESENTS THE AVERAGE ATOMIC RMS DIFFERENCE IN ANGSTROMS BETWEEN THE 80 INDIVIDUAL SIMULATED ANNEALING STRUCTURES AND THE MEAN COORDINATES RESIDUES 1-3, 61-69 AND 102-103 ARE DISORDERED IN SOLUTION.
NMR ensemble
Conformer selection criteria: RESTRAINED REGULARIZED MEAN STRUCTURE Conformers calculated total number: 100 / Conformers submitted total number: 1
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