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BMRB: 18789

2M01

Solution structure of Kunitz-type neurotoxin LmKKT-1a from scorpion venom

Authors

Luo, F., Jiang, L., Liu, M., Chen, Z., Wu, Y.

Assembly

Kunitz-type neurotoxin LmKKT-1a

Entity

1. Kunitz-type neurotoxin LmKKT-1a (polymer, Thiol state: free and disulfide bound), 59 monomers, 6501.192 Da Detail

KKKCQLPSDV GKGKASFTRY YYNEESGKCE TFIYGGVGGN SNNFLTKEDC CRECAQGSC

Formula weight

6501.192 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS4:SG	1:CYS54:SG
2	disulfide	sing	1:CYS29:SG	1:CYS50:SG
3	disulfide	sing	1:CYS51:SG	1:CYS59:SG

Source organism

Lychas mucronatus

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.3 %, Completeness: 80.2 %, Completeness (bb): 83.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.2 % (532 of 663)	88.3 % (308 of 349)	66.0 % (165 of 250)	92.2 % (59 of 64)
Backbone	83.0 % (292 of 352)	99.2 % (124 of 125)	65.1 % (110 of 169)	100.0 % (58 of 58)
Sidechain	79.6 % (288 of 362)	82.1 % (184 of 224)	78.0 % (103 of 132)	16.7 % (1 of 6)
Aromatic	43.5 % (27 of 62)	58.1 % (18 of 31)	29.0 % (9 of 31)
Methyl	90.0 % (27 of 30)	86.7 % (13 of 15)	93.3 % (14 of 15)

1. LmKKT-1a

KKKCQLPSDV GKGKASFTRY YYNEESGKCE TFIYGGVGGN SNNFLTKEDC CRECAQGSC

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	potassium phosphate	natural abundance	20 mM
2	LmKKT-1a	[U-100% 13C; U-100% 15N]	1 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: 3.03 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: 3.03 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: 0.16 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2M01, Strand ID: A Detail

Release date

2012-10-18

Citation

Genomic and structural characterization of Kunitz-type peptide LmKTT-1a highlights diversity and evolution of scorpion potassium channel toxins
Chen, Z., Luo, F., Feng, J., Yang, W., Zeng, D., Zhao, R., Cao, Z., Liu, M., Li, W., Jiang, L., Wu, Y.
PLoS One (2013), 8, e60201-e60201, PubMed 23573241 , DOI 10.1371/journal.pone.0060201 , Abstract

Entries sharing articles Swiss-Prot: 4 entries Detail

  Swiss-Prot: P0DJ46 released on 2012-07-11
    Title VKT21_LYCMC Entity Kunitz-type serine protease inhibitor LmKTT-1a
  Swiss-Prot: P0DJ50 released on 2012-07-11
    Title VKT31_MESMA Entity Kunitz-type serine protease inhibitor BmKTT-2
  Swiss-Prot: P0DJ34 released on 2012-04-18
    Title KKX27_HETPE Entity Potassium channel toxin kappa-KTx 2.7
  Swiss-Prot: P59938 released on 2003-10-31
    Title KGX22_MESMA Entity Potassium channel toxin gamma-KTx 2.2

Related entities 1. Kunitz-type neurotoxin LmKKT-1a, : 1 : 1 : 1 : 385 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC