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BMRB: 16584

2GVW

2J coupling constants in DFPase from Loligo vulgaris

Authors: Schmidt, J.M., Lohr, F.
Assembly: Diisopropylfluorophosphatase
Entity: 1. DFPase (polymer, Thiol state: all free), 316 monomers, 35223.49 Da Detail
GSMEIPVIEP LFTKVTEDIP GAEGPVFDKN GDFYIVAPEV EVNGKPAGEI LRIDLKTGKK TVICKPEVNG YGGIPAGCQC DRDANQLFVA DMRLGLLVVQ TDGTFEEIAK KDSEGRRMQG CNDCAFDYEG NLWITAPAGE VAPADYTRSM QEKFGSIYCF TTDGQMIQVD TAFQFPNGIA VRHMNDGRPY QLIVAETPTK KLWSYDIKGP AKIENKKVWG HIPGTHEGGA DGMDFDEDNN LLVANWGSSH IEVFGPDGGQ PKMRIRCPFE KPSNLHFKPQ TKTIFVTEHE NNAVWKFEWQ RNGKKQYCET LKFGIF

2. CA (non-polymer, Thiol state: not present), 40.078 × 2 Da
Total weight: 35303.645 Da
Max. entity weight: 35223.49 Da
Source organism: Loligo vulgaris
Exptl. method: solution NMR
Data set: coupling_constants
Coupling constant: 796 J values in 4 lists
Field strength (¹H) 600 MHz, 800 MHz, Pressure 1 atm, Temperature 301 K, pH 6.5 Detail
Pressure 1 atm, Temperature 301 K, pH 6.5
Experiment name 3D quantitative J-correlated [15N,1H]-TROSY-HNC, 3D Ca-coupled [15N,1H]-TROSY-HNCO, 2D IPAP-type HN(a/b-NCO-J)-TROSY, 3D Ha-coupled [15N,1H]-TROSY-iHNCA, 2D IPAP-type HN(CO-a/b-NCa-J)-TROSY
List #1 2JCaN_, Field strength (¹H) 800 MHz
List #2 2JHNCa, Field strength (¹H) 800 MHz
List #3 2JCOHN, Field strength (¹H) 800 MHz
List #4 2JN_Ha, Field strength (¹H) 600 MHz
Release date: 2010-02-07
Citation 1: Correlation of (2)J couplings with protein secondary structure
Schmidt, J.M., Hua, Y., Lohr, F.
Proteins (2010), 78, 1544-1562, PubMed 20131375 , DOI 10.1002/prot.22672 , Abstract
Citation 2: Transverse relaxation optimised spin-state selective NMR experiments for measurement of residual dipolar couplings
Permi, P., Annila, A.
J. Biomol. NMR (2000), 16, 221-227, PubMed 10805128 , Abstract
Citation 3: Measurement of residual dipolar couplings from 1Halpha to 13Calpha and 15N using a simple HNCA-based experiment
Permi, P.
J. Biomol. NMR (2003), 27, 341-349, PubMed 14512731 , Abstract
Citation 4: Simultaneous measurement of protein one-bond and two-bond nitrogen-carbon coupling constants using an internally referenced quantitative J-correlated [(15)N,(1)H]-TROSY-HNC experiment
Wienk, H.L.J., Martinez, M.M., Yalloway, G.N., Schmidt, J.M., Perez, C., Ruterjans, H., Lohr, F.
J. Biomol. NMR (2003), 25, 133-145, PubMed 12652122 , Abstract

Related entities 1. DFPase, : 1 : 12 : 23 entities Detail

Experiments performed 5 experiments Detail

1 3D Ca-coupled [15N,1H]-TROSY-HNCO

Instrument

Bruker DRX - 500 MHz 1H{13C,15N}-triple-resonance three-axis PFG probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 301 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	DFPase	[U-95% 13C; U-95% 15N; 90% 2H]	0.75 mM
8	calcium chloride	natural abundance	5 mM
9	sodium azide	natural abundance	0.03 %
10	Pefabloc protease inhibitor	natural abundance	50 ug/mL
11	D2O	[U-2H]	5 %
12	H2O	natural abundance	95 %

2 2D IPAP-type HN(CO-a/b-NCa-J)-TROSY

Instrument

Bruker Avance - 800 MHz room-temperature and cryogenic triple-resonance z-gradient probes

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 301 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	DFPase	[U-95% 13C; U-95% 15N; 90% 2H]	0.75 mM
8	calcium chloride	natural abundance	5 mM
9	sodium azide	natural abundance	0.03 %
10	Pefabloc protease inhibitor	natural abundance	50 ug/mL
11	D2O	[U-2H]	5 %
12	H2O	natural abundance	95 %

3 2D IPAP-type HN(a/b-NCO-J)-TROSY

Instrument

Bruker Avance - 800 MHz room-temperature and cryogenic triple-resonance z-gradient probes

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 301 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	DFPase	[U-95% 13C; U-95% 15N; 90% 2H]	0.75 mM
8	calcium chloride	natural abundance	5 mM
9	sodium azide	natural abundance	0.03 %
10	Pefabloc protease inhibitor	natural abundance	50 ug/mL
11	D2O	[U-2H]	5 %
12	H2O	natural abundance	95 %

4 3D Ha-coupled [15N,1H]-TROSY-iHNCA

Instrument

Bruker DMX - 600 MHz 1H{13C,15N}-triple-resonance three-axis PFG probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 301 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	DFPase	[U-95% 13C; U-95% 15N]	1.6 mM
2	calcium chloride	natural abundance	5 mM
3	sodium azide	natural abundance	0.03 %
4	Pefabloc protease inhibitor	natural abundance	50 ug/mL
5	D2O	[U-2H]	5 %
6	H2O	natural abundance	95 %

5 3D quantitative J-correlated [15N,1H]-TROSY-HNC

Instrument

Bruker Avance - 800 MHz room-temperature and cryogenic triple-resonance z-gradient probes

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 301 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	DFPase	[U-95% 13C; U-95% 15N; 90% 2H]	0.75 mM
8	calcium chloride	natural abundance	5 mM
9	sodium azide	natural abundance	0.03 %
10	Pefabloc protease inhibitor	natural abundance	50 ug/mL
11	D2O	[U-2H]	5 %
12	H2O	natural abundance	95 %

Keywords data mining, statistics, torsion angles, two-bond coupling, 2JCAN_ measurement, 2JCOHN measurement, 2JHNCA measurement, IPAP method, 2JN_HA measurement, quantitative J correlation

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Found 1 Document (0.515 seconds)

BMRB: 16584

Related entities 1. DFPase, : 1 : 12 : 23 entities Detail

Experiments performed 5 experiments Detail

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