BMRB: 27839

Iga1 Protease G5 domain

Authors

Eisenmesser, E.Z., Chi, Y., Paukovich, N., Redzic, J.S., Rahkola, J.T., Janoff, E.N.

Assembly

IgA1 protease G5 monomer

Entity

1. IgA1 protease G5 monomer (polymer, Thiol state: not present), 84 monomers, 9523.630 Da Detail

GSHNKPELLY REETIETKID FQEEIQENPD LAEGTVRVKQ EGKLGKKVEI VRIFSVNKEE VSREIVSTST TAPSPRIVEK GTKK

Formula weight

9523.63 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.2 %, Completeness: 80.5 %, Completeness (bb): 90.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	80.5 % (804 of 999)	74.9 % (396 of 529)	85.9 % (330 of 384)	90.7 % (78 of 86)
Backbone	90.1 % (447 of 496)	85.2 % (144 of 169)	93.1 % (230 of 247)	91.3 % (73 of 80)
Sidechain	74.4 % (433 of 582)	70.0 % (252 of 360)	81.5 % (176 of 216)	83.3 % (5 of 6)
Aromatic	62.5 % (20 of 32)	81.3 % (13 of 16)	43.8 % (7 of 16)
Methyl	84.0 % (79 of 94)	80.9 % (38 of 47)	87.2 % (41 of 47)

1. IgA1P-G5

GSHNKPELLY REETIETKID FQEEIQENPD LAEGTVRVKQ EGKLGKKVEI VRIFSVNKEE VSREIVSTST TAPSPRIVEK GTKK

Show sample condition

Sample

Solvent system 100% D2O, Pressure 1 atm, Temperature 25 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	IgA1P-G5	[U-13C; U-15N; U-2H]		0.5 mM
2	MES	natural abundance		50 mM
3	NaCl	natural abundance		150 mM

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LACS Plot; CA

Referencing offset: -0.39 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	glucose	methyl carbons	4.78 ppm	internal	indirect	1.0
1H	water	protons	4.78 ppm	internal	indirect	1.0
15N	[15N] ammonium chloride	nitrogen	4.78 ppm	internal	indirect	1.0

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LACS Plot; CB

Referencing offset: -0.39 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	glucose	methyl carbons	4.78 ppm	internal	indirect	1.0
1H	water	protons	4.78 ppm	internal	indirect	1.0
15N	[15N] ammonium chloride	nitrogen	4.78 ppm	internal	indirect	1.0

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LACS Plot; HA

Referencing offset: -0.19 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	glucose	methyl carbons	4.78 ppm	internal	indirect	1.0
1H	water	protons	4.78 ppm	internal	indirect	1.0
15N	[15N] ammonium chloride	nitrogen	4.78 ppm	internal	indirect	1.0

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LACS Plot; CO

Referencing offset: 0.64 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	glucose	methyl carbons	4.78 ppm	internal	indirect	1.0
1H	water	protons	4.78 ppm	internal	indirect	1.0
15N	[15N] ammonium chloride	nitrogen	4.78 ppm	internal	indirect	1.0

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Protein Blocks Logo

Calculated from 8 models in PDB: 6OH1, Strand ID: A Detail

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Release date

2019-03-19

Citation

Streptococcus pneumoniae G5 domains bind different ligands
Paukovich, N., Redzic, J.S., Chi, Y.C., Rahkola, J.T., Issaian, A., Blue, A., Hansen, K.C., Janoff, E.N., Eisenmesser, E.Z.
Protein Sci. (2019), 28, 1797-1805, PubMed 31390088 , DOI 10.1002/pro.3693 , Abstract

Related entities 1. IgA1 protease G5 monomer, : 1 : 2 : 9 entities Detail

Experiments performed 1 experiments Detail