BMRB: 5028

Solution Structure of MCOTI-II, a Macrocyclic Trypsin Inhibitor

Authors

Felizmenio-Quimio, M.F., Daly, N.L., Craik, D.J.

Assembly

TRYPSIN INHIBITOR II

Entity

1. TRYPSIN INHIBITOR II (polymer, Thiol state: all disulfide bound), 34 monomers, 3476.990 Da Detail

SGSDGGVCPK ILKKCRRDSD CPGACICRGN GYCG

Formula weight

3476.99 Da

Entity Connection

peptide 1, disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS8:SG	1:CYS25:SG
2	disulfide	sing	1:CYS15:SG	1:CYS27:SG
3	disulfide	sing	1:CYS21:SG	1:CYS33:SG
4	peptide	sing	1:SER1:N	1:GLY34:C

Source organism

Momordica cochinchinensis

Exptl. method

NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.3 %, Completeness (bb): 97.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	97.3 % (178 of 183)	97.3 % (178 of 183)
Backbone	97.3 % (71 of 73)	97.3 % (71 of 73)
Sidechain	97.3 % (107 of 110)	97.3 % (107 of 110)
Aromatic	100.0 % (4 of 4)	100.0 % (4 of 4)
Methyl	100.0 % (9 of 9)	100.0 % (9 of 9)

1. MCoTI II

SGSDGGVCPK ILKKCRRDSD CPGACICRGN GYCG

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Sample

Pressure 1 atm, Temperature 293 (±1) K, pH 3.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	MCoTI II			1 mM
2	H2O			90 %
3	D2O			10 %

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Protein Blocks Logo

Calculated from 20 models in PDB: 1IB9, Strand ID: A Detail

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Release date

2001-05-21

Citation 1

Circular proteins in plants: solution structure of a novel macrocyclic trypsin inhibitor from Momordica cochinchinensis
Felizmenio-Quimio, M.F., Daly, N.L., Craik, D.J.
J. Biol. Chem. (2001), 276, 22875-22882, PubMed 11292835 , DOI 10.1074/jbc.M101666200 , Abstract

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Citation 2

Squash trypsin inhibitors from Momordica cochinchinensis exhibit an atypical macrocyclic structure
Hernandez, J.F., Gagnon, J., Chiche, L., Nguyen, T.M., Andrieu, J.P., Heitz, A., Trinh Hong, T., Pham, T.T., Le Nguyen, D.
Biochemistry (2000), 39, 5722-5730, PubMed 10801322 , DOI: , Abstract

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Related entities 1. TRYPSIN INHIBITOR II, : 1 : 3 : 1 : 1 : 39 entities Detail

Experiments performed 3 experiments Detail