#1: Journal: Biochemistry / Year: 1997 Title: Conformation of the Principal Neutralizing Determinant of Human Immunodeficiency Virus Type 1 in Complex with an Anti-GP120 Virus Neutralizing Antibody Studied by Two-dimensional Nuclear ...Title: Conformation of the Principal Neutralizing Determinant of Human Immunodeficiency Virus Type 1 in Complex with an Anti-GP120 Virus Neutralizing Antibody Studied by Two-dimensional Nuclear Magnetic Resonance Difference Spectroscopy. Authors: Zvi, A. / Feigelson, D.J. / Hayek, Y. / Anglister, J.
Mass: 2017.406 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. / References: UniProt: Q79428
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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
15N
1
2
1
13C FILTERED NOESY
NMR details
Text: THE STRUCTURE WAS DETERMINED IN COMPLEX WITH THE FV ANTIBODY FRAGMENT USING ISOTOPE-FILTERED AND ISOTOPE-EDITED NMR WITH EITHER THE FV OR THE PEPTIDE LABELLED WITH 15N AND 13C.
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Sample preparation
Sample conditions
pH: 7.1 / Temperature: 305 K
Crystal grow
*PLUS
Method: other / Details: NMR
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NMR measurement
NMR spectrometer
Type: Bruker DMX600 / Manufacturer: Bruker / Model: DMX600 / Field strength: 600 MHz
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Processing
NMR software
Name
Version
Developer
Classification
X-PLOR
3.1
BRUNGER
refinement
NMRPipe
structuresolution
Refinement
Method: HYBRID DG-SA / Software ordinal: 1 Details: AFTER INITIAL SIMULATED ANNEALING CALCULATIONS THE STRUCTURES WERE MINIMIZED USING A FULL L-J POTENTIAL REPRESENTATION. THE CIS PEPTIDE BOND BETWEEN GLY 12 AND PRO 13 WAS PATHED CIS IN THE ...Details: AFTER INITIAL SIMULATED ANNEALING CALCULATIONS THE STRUCTURES WERE MINIMIZED USING A FULL L-J POTENTIAL REPRESENTATION. THE CIS PEPTIDE BOND BETWEEN GLY 12 AND PRO 13 WAS PATHED CIS IN THE PROCESS OF STRUCTURE GENERATION.
NMR ensemble
Conformer selection criteria: LEAST RESTRAINT VIOLATIONS / Conformers submitted total number: 35
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