BMRB: 6880

1H, 13C and 15N chemical shift assignments of Schistocerca gregaria chymotrypsin inhibitor at pH=6.0

Authors

Graf, L., Gaspari, Z., Szenthe, B., Patthy, A., Westler, W.M., Perczel, 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

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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

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation

Chem. Shift Complete

Sequence coverage: 65.7 %, Completeness: 48.0 %, Completeness (bb): 69.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	48.0 % (107 of 223)	44.7 % (84 of 188)	65.7 % (23 of 35)
Backbone	69.2 % (72 of 104)	69.0 % (49 of 71)	69.7 % (23 of 33)
Sidechain	29.4 % (35 of 119)	29.9 % (35 of 117)	0.0 % (0 of 2)
Aromatic	0.0 % (0 of 5)	0.0 % (0 of 5)
Methyl	58.3 % (7 of 12)	58.3 % (7 of 12)

1. Schistocerca gregaria chymotrypsin inhibitor

EVTCEPGTTF KDKCNTCRCG SDGKSAACTL KACPQ

Show sample condition

Sample

Temperature 300 (±1) K, pH 6.0 (±0.2)

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

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Heteronucl. T₁

23 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 500 MHz, Temperature 300 (±1) K, pH 6.0 (±0.2) Detail

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Temperature 300 (±1) K, pH 6.0 (±0.2)

Experiment name 15N T1

Heteronucl. T₂

23 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 500 MHz, Temperature 300 (±1) K, pH 6.0 (±0.2) Detail

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Temperature 300 (±1) K, pH 6.0 (±0.2)

Experiment name 15N T2

Heteronucl. NOE

23 NOE values in 1 lists
Value type relative intensities, Field strength (¹H) 500 MHz, Temperature 300 (±1) K, pH 6.0 (±0.2) Detail

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Temperature 300 (±1) K, pH 6.0 (±0.2)

Experiment name 1H,15N NOE

Heteronucl. T₁/T₂

23 T₁/T₂ values in 1 lists
Field strength (¹H) 500 MHz, Temperature 300 (±1) K, pH 6.0 (±0.2) Detail

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Temperature 300 (±1) K, pH 6.0 (±0.2)

Release date

2005-10-27

Citation

Local binding with globally distributed changes in a small protease inhibitor upon enzyme binding
Gaspari, Z., Szenthe, B., Patthy, A., Westler, W.M., Graf, L., Perczel, A.
FEBS J. (2006), 273, 1831-1842, PubMed 16623717 , DOI 10.1111/j.1742-4658.2006.05204.x , Abstract

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 6 experiments Detail

Chemical shift validation 3 contents Detail