1QRY

Homeobox protein VND (ventral nervous system defective protein)


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 15N-1H HSQC0.7 MM A35T VND/NK2-DNA COMPLEX; A35T VND/NK2 IS 15N SINGLE-LABELED; 90% H2O, 10% D2O; PH 6.86.8AMBIENT308
23D CBCANH0.7 MM A35T VND/NK2-DNA COMPLEX; A35T VND/NK2 IS 15N/13C DOUBLE-LABELED; 90% H2O, 10% D2O; PH 6.86.8AMBIENT308
33D CBCA(CO)NH0.7 MM A35T VND/NK2-DNA COMPLEX; A35T VND/NK2 IS 15N/13C DOUBLE-LABELED; 90% H2O, 10% D2O; PH 6.86.8AMBIENT308
43D HBHA(CO)NH0.7 MM A35T VND/NK2-DNA COMPLEX; A35T VND/NK2 IS 15N/13C DOUBLE-LABELED; 90% H2O, 10% D2O; PH 6.86.8AMBIENT308
53D HNHA0.7 MM A35T VND/NK2-DNA COMPLEX; A35T VND/NK2 IS 15N/13C DOUBLE-LABELED; 90% H2O, 10% D2O; PH 6.86.8AMBIENT308
63D HCCH-TOCSY0.7 MM A35T VND/NK2-DNA COMPLEX; A35T VND/NK2 IS 15N/13C DOUBLE-LABELED; 100% D2O; PH6.86.8AMBIENT308
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAMX600
NMR Refinement
MethodDetailsSoftware
simulated annealingTHE STRUCTURES ARE BASED ON 1146 NOE-DERIVED DISTANCE RESTRAINTS AND 43 DIHEDRAL ANGLE RESTRAINTS.NMRPipe
NMR Ensemble Information
Conformer Selection CriteriaSTRUCTURES WITH ACCEPTABLE COVALENT GEOMETRY,STRUCTURES WITH THE LEAST RESTRAINT VIOLATIONS,STRUCTURES WITH THE LOWEST ENERGY
Conformers Calculated Total Number100
Conformers Submitted Total Number20
Representative Model1 (lowest energy)
Additional NMR Experimental Information
Details3D 15N EDITED NOESY-HSQC, 4D 15N/13C EDITED HMQC-NOESY-HSQC, AND 4D 13C/13C EDITED HMQC-NOESY-HSQC WERE USED FOR OBTAINING NOE RESTRAINTS.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1processingNMRPipeDELAGLIO
2structure solutionX-PLORBRUNGER
3refinementX-PLORBRUNGER