BMRB: 25658

NMR STRUCTURE OF A 180 RESIDUE CONSTRUCT ENCOMPASSING THE N- TERMINAL METAL-BINDING SITE AND THE MEMBRANE PROXIMAL DOMAIN OF SILB FROM CUPRIAVIDUS METALLIDURANS CH34

Authors

Bersch, B., Urbina Fernandez, P., Vandenbussche, G.

Assembly

METAL-BINDING SITE OF THE MEMBRANE FUSION PROTEIN SILB

Entity

1. METAL-BINDING SITE OF THE MEMBRANE FUSION PROTEIN SILB (polymer, Thiol state: not present), 180 monomers, 19045.41 × 2 Da Detail

MGSATVNGPH DGHDPAAGAE LKTGKRILYW RDPMVPGQRF DKPGKSPYMD MPLIPVYEEE NADGAAVRID GRVTQNLGVR TAEVKLGRLG STERLLVPSE ALIRTGARTI AMVAKGEGGF DPVEVKAGAT AGGQSEILEG LKAGQQVVVS GQFLIDSEAS LRGTVARMQE TTSGLEVLFQ

Total weight

38090.82 Da

Max. entity weight

19045.41 Da

Source organism

Cupriavidus metallidurans

Exptl. method

solution NMR

Refine. method

MOLECULAR DYNAMICS

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 96.1 %, Completeness: 85.8 %, Completeness (bb): 92.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	85.8 % (1694 of 1974)	81.8 % (838 of 1024)	90.2 % (693 of 768)	89.6 % (163 of 182)
Backbone	92.4 % (979 of 1060)	91.4 % (342 of 374)	92.4 % (477 of 516)	94.1 % (160 of 170)
Sidechain	80.7 % (863 of 1070)	76.3 % (496 of 650)	89.2 % (364 of 408)	25.0 % (3 of 12)
Aromatic	66.7 % (56 of 84)	66.7 % (28 of 42)	65.9 % (27 of 41)	100.0 % (1 of 1)
Methyl	87.6 % (184 of 210)	82.9 % (87 of 105)	92.4 % (97 of 105)

1. ag silbnm2

MGSATVNGPH DGHDPAAGAE LKTGKRILYW RDPMVPGQRF DKPGKSPYMD MPLIPVYEEE NADGAAVRID GRVTQNLGVR TAEVKLGRLG STERLLVPSE ALIRTGARTI AMVAKGEGGF DPVEVKAGAT AGGQSEILEG LKAGQQVVVS GQFLIDSEAS LRGTVARMQE TTSGLEVLFQ

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Sample

Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.300 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	ag_silbnm2	[U-99% 15N]		0.5 (±0.05) mM
2	AgNO3	natural abundance		0.6 (±0.06) mM
3	MES	natural abundance		50.0 (±5.0) mM

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LACS Plot; CA

Referencing offset: -0.06 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference #1

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	TSP	H	0.0 ppm	internal	indirect	0.0
1H	TSP	H	0.0 ppm	internal	indirect	1.0

Chemical shift reference #2

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	TSP	H	0.0 ppm	internal	indirect	1.0
15N	TSP	H	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.06 ppm, Outliers: 1 Detail

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Chemical shift reference #1

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	TSP	H	0.0 ppm	internal	indirect	0.0
1H	TSP	H	0.0 ppm	internal	indirect	1.0

Chemical shift reference #2

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	TSP	H	0.0 ppm	internal	indirect	1.0
15N	TSP	H	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.01 ppm, Outliers: 1 Detail

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Chemical shift reference #1

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	TSP	H	0.0 ppm	internal	indirect	0.0
1H	TSP	H	0.0 ppm	internal	indirect	1.0

Chemical shift reference #2

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	TSP	H	0.0 ppm	internal	indirect	1.0
15N	TSP	H	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.26 ppm, Outliers: 1 Detail

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Chemical shift reference #1

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	TSP	H	0.0 ppm	internal	indirect	0.0
1H	TSP	H	0.0 ppm	internal	indirect	1.0

Chemical shift reference #2

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	TSP	H	0.0 ppm	internal	indirect	1.0
15N	TSP	H	0.0 ppm	internal	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 5A4G, Strand ID: A Detail

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Release date

2016-05-22

Citation

Structural and Functional Investigation of the Ag(+)/Cu(+) Binding Domains of the Periplasmic Adaptor Protein SilB from Cupriavidus metallidurans CH34
Urbina, P., Bersch, B., De Angelis, F., Derfoufi, K., Prevost, M., Goormaghtigh, E., Vandenbussche, G.
Biochemistry (2016), 55, 2883-2897, PubMed 27145046 , DOI 10.1021/acs.biochem.6b00022 , Abstract

Related entities 1. METAL-BINDING SITE OF THE MEMBRANE FUSION PROTEIN SILB, : 1 entities Detail

Experiments performed 11 experiments Detail