BMRB: 20048

NMR solution structure of an analgesic Mu-contoxin KIIIA

Authors

Khoo, K.K., Feng, Z., Norton, R.S.

Assembly

Mu-contoxin KIIIA

Entity

1. Mu-contoxin KIIIA (polymer, Thiol state: all disulfide bound), 16 monomers, 1891.187 Da Detail

CCNCSSKWCR DHSRCC

Formula weight

1891.187 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:CYS9:SG
2	disulfide	sing	1:CYS2:SG	1:CYS15:SG
3	disulfide	sing	1:CYS4:SG	1:CYS16:SG

Source organism

Conus kinoshitai

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, conformer_family_coord_set

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 69.4 %, Completeness (bb): 62.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	69.4 % (118 of 170)	98.9 % (89 of 90)	22.6 % (14 of 62)	83.3 % (15 of 18)
Backbone	62.5 % (60 of 96)	96.9 % (31 of 32)	29.2 % (14 of 48)	93.8 % (15 of 16)
Sidechain	64.4 % (58 of 90)	100.0 % (58 of 58)	0.0 % (0 of 30)	0.0 % (0 of 2)
Aromatic	50.0 % (8 of 16)	100.0 % (8 of 8)	0.0 % (0 of 7)	0.0 % (0 of 1)

1. KIIIA

CCNCSSKWCR DHSRCC

Show sample condition

Sample #1

Solvent system 94% H2O/6% D2O, Temperature 278 K, pH 4.8

#	Name	Isotope labeling	Type	Concentration
1	KIIIA	natural abundance		2.6 mM

Sample #2

Solvent system 100% D2O, Temperature 278 K, pH 4.8

#	Name	Isotope labeling	Type	Concentration
2	KIIIA	natural abundance		2.3 mM

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Protein Blocks Logo

Calculated from 20 models in PDB: 2LXG, Strand ID: A Detail

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Release date

2009-04-03

Citation

Structure of the analgesic mu-conotoxin KIIIA and effects on the structure and function of disulfide deletion
Khoo, K.K., Feng, Z., Smith, B.J., Zhang, M., Yoshikami, D., Olivera, B.M., Bulaj, G., Norton, R.S.
Biochemistry (2009), 48, 1210-1219, PubMed 19170536 , DOI 10.1021/bi801998a , Abstract

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

Related entities 1. Mu-contoxin KIIIA, : 1 : 4 : 14 entities Detail

Experiments performed 9 experiments Detail