Group: Atomic model / Database references ...Atomic model / Database references / Derived calculations / Other / Structure summary / Version format compliance
Mass: 2063.318 Da / Num. of mol.: 1 Fragment: TISSUE FACTOR CYTOPLASMIC DOMAIN, RESIDUES 277-295 Source method: obtained synthetically / Source: (synth.) HOMO SAPIENS (human) / References: UniProt: P13726
Compound details
INITIATES BLOOD COAGULATION BY FORMING A COMPLEX WITH CIRCULATING FACTOR VII OR VIIA
Sequence details
CYTOPLASMIC DOMAIN OF TISSUE FACTOR
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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
ROESY
2
2
1
NOESY
3
3
1
TOCSY
4
4
1
IP-COSY
NMR details
Text: THE UNPHOSPHORYLATED TFCD PEPTIDE NMR STRUCTURES WERE CALCULATED USING 2D HOMONUCLEAR NMR SPECTROSCOPY METHODS.
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Sample preparation
Details
Contents: 90% WATER 10% D2O
Sample conditions
Conditions-ID
Ionic strength
pH
Pressure (kPa)
Temperature (K)
1
0
6.0
1.0atm
285.0K
2
0
6.0
1.0atm
285.0K
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NMR measurement
NMR spectrometer
Type
Manufacturer
Model
Field strength (MHz)
Spectrometer-ID
Bruker OTHER
Bruker
OTHER
800
1
Bruker OTHER
Bruker
OTHER
600
2
-
Processing
NMR software
Name
Version
Developer
Classification
DYANA AMBER
8
PONDER,J.W.
refinement
NMRPipe
structuresolution
NMRView
structuresolution
DYANA
structuresolution
Amber
8
structuresolution
MOLMOL
structuresolution
Refinement
Method: DYANA AMBER 8.0. / Software ordinal: 1 Details: INITIAL NMR STRUCTURES WERE CALCULATED BY DYANA, WHICH INCLUDES MODIFIED SEP RESIDUE, PHOSPHORYLATED SER, CRAFT AND LEGGE, 2005, J.BIOL MOL.NMR. TOP10 ANNEALLED STRUCTURES THEN FURTHER MINIMIZED VIA AMBER 8.0.
NMR ensemble
Conformer selection criteria: LOWEST POTENTIAL ENERGY ENSEMBLES Conformers calculated total number: 50 / Conformers submitted total number: 10
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