BMRB: 4188

C2 Domain of Cytosolic Phospholipase A2

Authors

Xu, G., McDonagh, T., Yu, H., Nalefski, E.A., Clark, J.D., Cumming, D.A.

Assembly

C2 Domain of Cytosolic Phospholipase A2

Entity

1. C2 Domain of Cytosolic Phospholipase A2 (polymer), 138 monomers, 15955.98 Da Detail

MSFIDPYQHI IVEHQYSHKF TVVVLRATKV TKGAFGDMLD TPDPYVELFI STTPDSRKRT RHFNNDINPV WNETFEFILD PNQENVLEIT LMDANYVMDE TLGTATFTVS SMKVGEKKEV PFIFNQVTEM VLEMSLEV

Formula weight

15955.98 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

DISTANCE GEOMETRY, SIMULATED ANNEALING, RESTRAINED MOLECULAR DYNAMICS, ETC.

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 91.7 %, Completeness (bb): 95.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	91.7 % (1514 of 1651)	93.5 % (795 of 850)	88.1 % (579 of 657)	97.2 % (140 of 144)
Backbone	95.8 % (780 of 814)	97.1 % (265 of 273)	94.6 % (388 of 410)	96.9 % (127 of 131)
Sidechain	89.2 % (866 of 971)	91.9 % (530 of 577)	84.8 % (323 of 381)	100.0 % (13 of 13)
Aromatic	49.4 % (79 of 160)	62.5 % (50 of 80)	35.4 % (28 of 79)	100.0 % (1 of 1)
Methyl	100.0 % (164 of 164)	100.0 % (82 of 82)	100.0 % (82 of 82)

1. C2 Domain of Cytosolic Phospholipase A2

MSFIDPYQHI IVEHQYSHKF TVVVLRATKV TKGAFGDMLD TPDPYVELFI STTPDSRKRT RHFNNDINPV WNETFEFILD PNQENVLEIT LMDANYVMDE TLGTATFTVS SMKVGEKKEV PFIFNQVTEM VLEMSLEV

Show sample condition

Sample

Pressure 1 atm, Temperature 308 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	C2 Domain of Cytosolic Phospholipase A2	[U-95% 13C; U-95% 15N]		0.5 mM

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LACS Plot; CA

Referencing offset: 0.0 ppm, Outliers: 3 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 protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.0 ppm, Outliers: 3 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.24 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.73 ppm, Outliers: 6 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

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

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Coupling constant

99 J values in 1 lists
Pressure 1 atm, Temperature 308 (±1) K Detail

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Pressure 1 atm, Temperature 308 (±1) K

List #1 coupling_constants_one

Release date

2000-03-07

Citation 1

Solution structure and membrane interactions of the C2 domain of cytosolic phospholipase A2
Xu, G., McDonagh, T., Yu, H., Nalefski, E.A., Clark, J.D., Cumming, D.A.
J. Mol. Biol. (1998), 280, 485-500, PubMed 9665851 , DOI 10.1006/jmbi.1998.1874 , Abstract

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Citation 2

1H, 13C and 15N chemical shift referencing in biomolecular NMR
Wishart, D.S., Bigam, C.G., Yao, J., Abildgaard, F., Dyson, H.J., Oldfield, E., Markley, J.L., Sykes, B.D.
J. Biomol. NMR (1995), 6, 135-140, PubMed 8589602 , Abstract

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Related entities 1. C2 Domain of Cytosolic Phospholipase A2, : 1 : 3 : 1 : 1 : 34 entities Detail

Interaction partners 1. C2 Domain of Cytosolic Phospholipase A2, : 14 interactors Detail

Experiments performed 2 experiments Detail