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BMRB: 15927

2KS4

1H, 13C, 15N NMR resonance assignments of the actinoporin Sticholysin I

Authors

Castrillo, I., Santoro, J., Bruix, M.

Assembly

StnI

Entity

1. StnI (polymer, Thiol state: not present), 176 monomers, 19390.78 Da Detail

SELAGTIIDG ASLTFEVLDK VLGELGKVSR KIAVGIDNES GGTWTALNAY FRSGTTDVIL PEVVPNTKAL LYSGRKSSGP VATGAVAAFA YYMSNGNTLG VMFSVPFDYN WYSNWWDVKI YPGKRRADQG MYEDMYYGNP YRGDNGWYQK NLGYGLRMKG IMTSAGEAKM QIKISR

Formula weight

19390.78 Da

Source organism

Stichodactyla helianthus

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 88.1 %, Completeness (bb): 85.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.1 % (1778 of 2019)	95.6 % (995 of 1041)	75.7 % (598 of 790)	98.4 % (185 of 188)
Backbone	85.2 % (889 of 1044)	98.1 % (361 of 368)	70.9 % (359 of 506)	99.4 % (169 of 170)
Sidechain	92.4 % (1043 of 1129)	94.2 % (634 of 673)	89.7 % (393 of 438)	88.9 % (16 of 18)
Aromatic	92.5 % (198 of 214)	96.3 % (103 of 107)	88.2 % (90 of 102)	100.0 % (5 of 5)
Methyl	88.9 % (160 of 180)	98.9 % (89 of 90)	78.9 % (71 of 90)

1. StnI

SELAGTIIDG ASLTFEVLDK VLGELGKVSR KIAVGIDNES GGTWTALNAY FRSGTTDVIL PEVVPNTKAL LYSGRKSSGP VATGAVAAFA YYMSNGNTLG VMFSVPFDYN WYSNWWDVKI YPGKRRADQG MYEDMYYGNP YRGDNGWYQK NLGYGLRMKG IMTSAGEAKM QIKISR

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0

#	Name	Isotope labeling	Type	Concentration
1	StnI	[U-13C; U-15N]		0.5 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0

#	Name	Isotope labeling	Type	Concentration
2	StnI	natural abundance		0.5 mM

LACS Plot; CA

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

Referencing offset: -0.03 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.03 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.06 ppm, Outliers: 5 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KS4, Strand ID: A Detail

Release date

2008-11-16

Citation

1H, 13C, and 15N NMR assignments of the actinoporin Sticholysin I
Castrillo, I., Alegre-Cebollada, J., del Pozo, A., Gavilanes, J.G., Santoro, J., Bruix, M.
Biomol. NMR Assign. (2009), 3, 5-7, PubMed 19636934 , DOI 10.1007/s12104-008-9127-3 , Abstract

Related entities 1. StnI, : 1 : 1 : 41 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC