BMRB: 5176

SOLUTION STRUCTURE OF THE SQUASH TRYPSIN INHIBITOR MCoTI-II, NMR, 30 STRUCTURES.

Authors

Heitz, A., Hernandez, J.F., Gagnon, J., Hong, T.T., Pham, T.T.C., Nguyen, T.M., Le-Nguyen, D., Chiche, L.

Assembly

Momordica Cochinchinensis Trypsin inhibitor II

Entity

1. Momordica Cochinchinensis 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

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

Source organism

Momordica cochinchinensis

Exptl. method

NMR

Refine. method

TORSION ANGLE MOLECULAR DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 89.4 %, Completeness (bb): 80.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C
All	89.4 % (279 of 312)	100.0 % (183 of 183)	74.4 % (96 of 129)
Backbone	80.4 % (135 of 168)	100.0 % (73 of 73)	65.3 % (62 of 95)
Sidechain	100.0 % (171 of 171)	100.0 % (110 of 110)	100.0 % (61 of 61)
Aromatic	100.0 % (8 of 8)	100.0 % (4 of 4)	100.0 % (4 of 4)
Methyl	100.0 % (18 of 18)	100.0 % (9 of 9)	100.0 % (9 of 9)

1. MCoTI-II

SGSDGGVCPK ILKKCRRDSD CPGACICRGN GYCG

Show sample condition

Sample

Pressure 1 atm, Temperature 305.0 (±1) K, pH 3.40 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	MCoTI-II			2.5 mM

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Protein Blocks Logo

Calculated from 30 models in PDB: 1HA9, Strand ID: A Detail

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Release date

2001-11-11

Citation

Solution structure of the squash trypsin inhibitor MCoTI-II. A new family for cyclic knottins
HEITZ, A., HERNANDEZ, J.F., GAGNON, J., HONG, T.T., PHAM, T.T.C., NGUYEN, T.M., LE-NGUYEN, D., CHICHE, L.
Biochemistry (2001), 40, 7973-7983, PubMed 11434766 , DOI: , Abstract

Related entities 1. Momordica Cochinchinensis Trypsin inhibitor II, : 1 : 3 : 1 : 1 : 39 entities Detail

Experiments performed 4 experiments Detail