BMRB: 5675

THREE DIMENSIONAL SOLUTION STRUCTURE OF HAINANTOXIN-I BY 2D 1H-NMR

Authors

Li, D.L., Liang, S.P.

Assembly

HAINANTOXIN-I

Entity

1. HAINANTOXIN-I (polymer, Thiol state: all disulfide bound), 33 monomers, 3613.218 Da Detail

ECKGFGKSCV PGKNECCSGY ACNSRDKWCK VLX

Formula weight

3613.218 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS2:SG	1:CYS17:SG
2	disulfide	sing	1:CYS9:SG	1:CYS22:SG
3	disulfide	sing	1:CYS16:SG	1:CYS29:SG

Source organism

Haplopelma hainanum

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.0 %, Completeness: 87.3 %, Completeness (bb): 98.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	87.3 % (165 of 189)	87.3 % (165 of 189)
Backbone	98.5 % (66 of 67)	98.5 % (66 of 67)
Sidechain	81.1 % (99 of 122)	81.1 % (99 of 122)
Aromatic	73.3 % (11 of 15)	73.3 % (11 of 15)
Methyl	85.7 % (6 of 7)	85.7 % (6 of 7)

1. HAINANTOXIN-I

ECKGFGKSCV PGKNECCSGY ACNSRDKWCK VLX

Show sample condition

Sample

Pressure 1 atm, Temperature 288.00 (±1) K, pH 4.00 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	HAINANTOXIN-I			4.5 mM
2	L deuterium acetic acid buffer			20 mM
3	H2O			90 %
4	D2O			10 %

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

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Release date

2003-01-22

Citation

Three-Dimensional Solution Structure of HAINANTOXIN-I by 2D 1H-NMR
Li, D.L., Liang, S.P.

Related entities 1. HAINANTOXIN-I, : 1 : 4 : 124 entities Detail

Experiments performed 3 experiments Detail