BMRB: 5052

1H Assigned Chemical Shifts for Neurotoxin II

Authors

Cheng, Y., Wang, W., Wang, J.

Assembly

neurotoxin II

Entity

1. neurotoxin II (polymer, Thiol state: all disulfide bound), 61 monomers, 6858.655 Da Detail

LECHNQQSSQ APTTKTCSGE TNCYKKWWSD HRGTIIERGC GCPKVKPGVN LNCCRTDRCN N

Formula weight

6858.655 Da

Entity Connection

disulfide 4 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS23:SG
2	disulfide	sing	1:CYS17:SG	1:CYS40:SG
3	disulfide	sing	1:CYS42:SG	1:CYS53:SG
4	disulfide	sing	1:CYS54:SG	1:CYS59:SG

Source organism

Naja kaouthia

Exptl. method

NMR

Refine. method

Simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 93.4 %, Completeness (bb): 97.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	93.4 % (337 of 361)	93.4 % (337 of 361)
Backbone	97.6 % (121 of 124)	97.6 % (121 of 124)
Sidechain	91.1 % (216 of 237)	91.1 % (216 of 237)
Aromatic	85.0 % (17 of 20)	85.0 % (17 of 20)
Methyl	89.5 % (17 of 19)	89.5 % (17 of 19)

1. cobrotoxin, neurotoxin

LECHNQQSSQ APTTKTCSGE TNCYKKWWSD HRGTIIERGC GCPKVKPGVN LNCCRTDRCN N

Show sample condition

Sample

Temperature 300 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	cobrotoxin, neurotoxin			4 mM

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Protein Blocks Logo

Calculated from 18 models in PDB: 1JE9, Strand ID: A Detail

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Release date

2001-06-11

Citation

1H Assigned Chemical Shifts for Neurotoxin II
Cheng, Y., Wang, W., Wang, J.

Related entities 1. neurotoxin II, : 1 : 1 : 9 : 163 entities Detail

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail