BMRB: 4490

Solution structure of the major alpha-amylase inhibitor of the crop plant Amaranth

Authors

Lu, S., Deng, P., Liu, X., Luo, J., Han, R., Gu, X., Liang, S., Wang, X., Li, F., Lozanov, V., Patthy, A., Pongor, S.

Assembly

alpha-amylase inhibitor

Entity

1. alpha-amylase inhibitor (polymer, Thiol state: all disulfide bound), 32 monomers, 3592.087 Da Detail

CIPKWNRCGP KMDGVPCCEP YTCTSDYYGN CS

Formula weight

3592.087 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS1:SG	1:CYS18:SG
2	disulfide	sing	1:CYS8:SG	1:CYS23:SG
3	disulfide	sing	1:CYS17:SG	1:CYS31:SG

Source organism

Amaranthus hypochondriacus

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 31.4 %, Completeness (bb): 85.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	31.4 % (58 of 185)	31.4 % (58 of 185)
Backbone	85.7 % (54 of 63)	85.7 % (54 of 63)
Sidechain	3.3 % (4 of 122)	3.3 % (4 of 122)
Aromatic	0.0 % (0 of 18)	0.0 % (0 of 18)
Methyl	33.3 % (2 of 6)	33.3 % (2 of 6)

1. alpha-amylase inhibitor

CIPKWNRCGP KMDGVPCCEP YTCTSDYYGN CS

Show sample condition

Sample

Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	alpha-amylase inhibitor			0.0 ~ 0.0 mM
2	H2O			90 %
3	D2O			10 %

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

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Release date

1999-12-05

Citation

Solution structure of the major alpha-amylase inhibitor of the crop plant amaranth
Lu, S., Deng, P., Liu, X., Luo, J., Han, R., Gu, X., Liang, S., Wang, X., Li, F., Lozanov, V., Patthy, A., Pongor, S.
J. Biol. Chem. (1999), 274, 20473-20478, PubMed 10400675 , DOI: , Abstract

Related entities 1. alpha-amylase inhibitor, : 1 : 3 : 1 entities Detail

Interaction partners 1. alpha-amylase inhibitor, : 1 interactors Detail

Experiments performed 4 experiments Detail