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Found 1 Document (0.974 seconds)

BMRB: 5272

1KGM

1H, 13C and 15N chemical shift assignments of Schistocerca gregaria chymotrypsin inhibitor

Authors

Gaspari, Z., Patthy, A., Graf, L., Patthy, A., Szenthe, B., Nagy, A.

Assembly

Schistocerca gregaria chymotrypsin inhibitor

Entity

1. Schistocerca gregaria chymotrypsin inhibitor (polymer, Thiol state: all disulfide bound), 35 monomers, 3654.133 Da Detail

EVTCEPGTTF KDKCNTCRCG SDGKSAACTL KACPQ

Formula weight

3654.133 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS17:SG	1:CYS28:SG
2	disulfide	sing	1:CYS14:SG	1:CYS33:SG
3	disulfide	sing	1:CYS4:SG	1:CYS19:SG

Source organism

Schistocerca gregaria

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, heteronucl_T1_relaxation, heteronucl_T2_relaxation, heteronucl_NOEs

Chem. Shift Complete

Sequence coverage: 97.1 %, Completeness: 88.8 %, Completeness (bb): 93.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	88.8 % (198 of 223)	89.4 % (168 of 188)	85.7 % (30 of 35)
Backbone	93.3 % (97 of 104)	94.4 % (67 of 71)	90.9 % (30 of 33)
Sidechain	84.9 % (101 of 119)	86.3 % (101 of 117)	0.0 % (0 of 2)
Aromatic	60.0 % (3 of 5)	60.0 % (3 of 5)
Methyl	100.0 % (12 of 12)	100.0 % (12 of 12)

1. Schistocerca gregaria chymotrypsin inhibitor

EVTCEPGTTF KDKCNTCRCG SDGKSAACTL KACPQ

Show sample condition

Sample #1

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Schistocerca gregaria chymotrypsin inhibitor			2.5 mM

Sample #2

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Schistocerca gregaria chymotrypsin inhibitor	[U-15N]		1.5 mM

Protein Blocks Logo

Calculated from 10 models in PDB: 1KGM, Strand ID: A Detail

Heteronucl. T₁

30 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 500 MHz, Temperature 300 (±1) K, pH 3.0 (±0.2) Detail

Heteronucl. T₂

30 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 500 MHz, Temperature 300 (±1) K, pH 3.0 (±0.2) Detail

Heteronucl. NOE

30 NOE values in 1 lists
Value type relative intensities, Field strength (¹H) 500 MHz, Temperature 300 (±1) K, pH 3.0 (±0.2) Detail

Heteronucl. T₁/T₂

30 T₁/T₂ values in 1 lists
Field strength (¹H) 500 MHz, Temperature 300 (±1) K, pH 3.0 (±0.2) Detail

Release date

2002-02-04

Citation 1

Comparative structure analysis of proteinase inhibitors from the desert locust, Schistocerca gregaria
Gaspari, Z., Patthy, A., Graf, L., Patthy, A.
Eur. J. Biochem. (2002), 269, 527-537, PubMed 11856311 , DOI: , Abstract

Show more 1 citaion

Citation 2

Same fold with different mobility: backbone dynamics of small protease inhibitors from the desert locust, Schistocerca gregaria
Szenthe, B., Gaspari, Z., Nagy, A., Patthy, A., Graf, L.
Biochemistry (2004), 43, 3376-3384, PubMed 15035609 , DOI 10.1021/bi035689+ , Abstract

Hide non-primary 1 citaion

Related entities 1. Schistocerca gregaria chymotrypsin inhibitor, : 1 : 1 : 3 : 23 entities Detail

Interaction partners 1. Schistocerca gregaria chymotrypsin inhibitor, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 9 experiments Detail

1 2D COSY

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Schistocerca gregaria chymotrypsin inhibitor			2.5 mM

Sample #2

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Schistocerca gregaria chymotrypsin inhibitor	[U-15N]		1.5 mM

2 2D TOCSY

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Schistocerca gregaria chymotrypsin inhibitor			2.5 mM

Sample #2

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Schistocerca gregaria chymotrypsin inhibitor	[U-15N]		1.5 mM

3 2D NOESY

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Schistocerca gregaria chymotrypsin inhibitor			2.5 mM

Sample #2

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Schistocerca gregaria chymotrypsin inhibitor	[U-15N]		1.5 mM

4 1H-15N HSQC

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Schistocerca gregaria chymotrypsin inhibitor			2.5 mM

Sample #2

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Schistocerca gregaria chymotrypsin inhibitor	[U-15N]		1.5 mM

5 3D TOCSY-HSQC

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Schistocerca gregaria chymotrypsin inhibitor			2.5 mM

Sample #2

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Schistocerca gregaria chymotrypsin inhibitor	[U-15N]		1.5 mM

6 3D NOESY-HSQC

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Schistocerca gregaria chymotrypsin inhibitor			2.5 mM

Sample #2

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Schistocerca gregaria chymotrypsin inhibitor	[U-15N]		1.5 mM

7 15N T1

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Schistocerca gregaria chymotrypsin inhibitor			2.5 mM

Sample #2

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Schistocerca gregaria chymotrypsin inhibitor	[U-15N]		1.5 mM

8 15N T2

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Schistocerca gregaria chymotrypsin inhibitor			2.5 mM

Sample #2

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Schistocerca gregaria chymotrypsin inhibitor	[U-15N]		1.5 mM

9 1H,15N NOE

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Schistocerca gregaria chymotrypsin inhibitor			2.5 mM

Sample #2

Temperature 300 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Schistocerca gregaria chymotrypsin inhibitor	[U-15N]		1.5 mM

nullKeywords SGCI, protease inhibitor, Schistocerca

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Found 1 Document (0.974 seconds)

BMRB: 5272

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Related entities 1. Schistocerca gregaria chymotrypsin inhibitor, : 1 : 1 : 3 : 23 entities Detail

Interaction partners 1. Schistocerca gregaria chymotrypsin inhibitor, : 1 interactors Detail

Experiments performed 9 experiments Detail

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