BMRB: 15358

structure of caenopore-5 (99 Pro trans)

Authors

Mysliwy, J., Grotzinger, J.

Assembly

caenopore5 monomer

Entity

1. caenopore5 monomer (polymer, Thiol state: all disulfide bound), 99 monomers, 10988.28 Da Detail

MSGSHHHHHH SSGIEGRGRS ALSCQMCELV VKKYEGSADK DANVIKKDFD AECKKLFHTI PFGTRECDHY VNSKVDPIIH ELEGGTAPKD VCTKLNECP

Formula weight

10988.28 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS24:SG	1:CYS98:SG
2	disulfide	sing	1:CYS27:SG	1:CYS92:SG
3	disulfide	sing	1:CYS53:SG	1:CYS67:SG

Source organism

Caenorhabditis elegans

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 88.9 %, Completeness: 71.7 %, Completeness (bb): 73.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	71.7 % (797 of 1111)	78.2 % (453 of 579)	60.0 % (260 of 433)	84.8 % (84 of 99)
Backbone	73.4 % (430 of 586)	87.1 % (176 of 202)	59.2 % (171 of 289)	87.4 % (83 of 95)
Sidechain	72.1 % (444 of 616)	73.5 % (277 of 377)	70.6 % (166 of 235)	25.0 % (1 of 4)
Aromatic	11.0 % (9 of 82)	22.0 % (9 of 41)	0.0 % (0 of 41)
Methyl	91.5 % (75 of 82)	92.7 % (38 of 41)	90.2 % (37 of 41)

1. caenopore-5

MSGSHHHHHH SSGIEGRGRS ALSCQMCELV VKKYEGSADK DANVIKKDFD AECKKLFHTI PFGTRECDHY VNSKVDPIIH ELEGGTAPKD VCTKLNECP

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 297 K, pH 5.2

#	Name	Isotope labeling	Type	Concentration
1	caenopore-5	[U-99% 13C; U-99% 15N]		1.0 ~ 2.0 mM
2	sodium phosphate	natural abundance		50 mM
3	H2O			93 %
4	D2O			7 %

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LACS Plot; CA

Referencing offset: -0.04 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl carbons	0.0 ppm	external	indirect	0.2514495
1H	TSP	methyl protons	0.0 ppm	internal	direct	1.0
15N	liquid anhydrous ammonia	nitrogen	0.0 ppm	external	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.04 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl carbons	0.0 ppm	external	indirect	0.2514495
1H	TSP	methyl protons	0.0 ppm	internal	direct	1.0
15N	liquid anhydrous ammonia	nitrogen	0.0 ppm	external	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.1 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl carbons	0.0 ppm	external	indirect	0.2514495
1H	TSP	methyl protons	0.0 ppm	internal	direct	1.0
15N	liquid anhydrous ammonia	nitrogen	0.0 ppm	external	indirect	0.1013291

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Protein Blocks Logo

Calculated from 15 models in PDB: 2JSA, Strand ID: A Detail

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Release date

2007-07-01

Citation

Caenopore-5: the three-dimensional structure of an antimicrobial protein from Caenorhabditis elegans
Mysliwy, J., Dingley, A.J., Stanisak, M., Jung, S., Lorenzen, I., Roeder, T., Leippe, M., Grotzinger, J.
Dev. Comp. Immunol. (2010), 34, 323-330, PubMed 19917307 , DOI 10.1016/j.dci.2009.11.003 , Abstract

Related entities 1. caenopore5 monomer, : 1 : 1 : 1 : 24 entities Detail

Experiments performed 8 experiments Detail