BMRB: 6532

Solution structure of apo-S100A13

Authors

Arnesano, F., Banci, L., Bertini, I., Fantoni, A., Tenori, L., Viezzoli, M.S.

Assembly

apo-S100A13

Entity

1. apo-S100A13 (polymer, Thiol state: not present), 98 monomers, 11471.04 × 2 Da Detail

MAAEPLTELE ESIETVVTTF FTFARQEGRK DSLSVNEFKE LVTQQLPHLL KDVGSLDEKM KSLDVNQDSE LKFNEYWRLI GELAKEIRKK KDLKIRKK

Total weight

22942.08 Da

Max. entity weight

11471.04 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

Restrained energy minimization

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 90.8 %, Completeness: 76.2 %, Completeness (bb): 77.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	76.2 % (927 of 1216)	83.2 % (534 of 642)	64.0 % (301 of 470)	88.5 % (92 of 104)
Backbone	77.7 % (454 of 584)	90.9 % (179 of 197)	64.9 % (189 of 291)	89.6 % (86 of 96)
Sidechain	76.8 % (558 of 727)	79.8 % (355 of 445)	71.9 % (197 of 274)	75.0 % (6 of 8)
Aromatic	23.0 % (17 of 74)	43.2 % (16 of 37)	0.0 % (0 of 36)	100.0 % (1 of 1)
Methyl	88.4 % (99 of 112)	91.1 % (51 of 56)	85.7 % (48 of 56)

1. apo-S100A13

MAAEPLTELE ESIETVVTTF FTFARQEGRK DSLSVNEFKE LVTQQLPHLL KDVGSLDEKM KSLDVNQDSE LKFNEYWRLI GELAKEIRKK KDLKIRKK

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 5.6

#	Name	Isotope labeling	Type	Concentration
1	apo-S100A13	[U-13C; U-15N]		1.5 mM
2	sodium acetate buffer			20 mM
3	D2O			10 %

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LACS Plot; CA

Referencing offset: 2.76 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
1H	water	na	0.0 ppm	null	null	1.0
15N	Urea	na	0.0 ppm	null	null	0.0
13C	Dioxane	na	0.0 ppm	null	null	0.0

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LACS Plot; CB

Referencing offset: 2.76 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
1H	water	na	0.0 ppm	null	null	1.0
15N	Urea	na	0.0 ppm	null	null	0.0
13C	Dioxane	na	0.0 ppm	null	null	0.0

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LACS Plot; HA

Referencing offset: 0.05 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
1H	water	na	0.0 ppm	null	null	1.0
15N	Urea	na	0.0 ppm	null	null	0.0
13C	Dioxane	na	0.0 ppm	null	null	0.0

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Protein Blocks Logo

Calculated from 25 models in PDB: 1YUS, Strand ID: A, B Detail

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Release date

2006-02-21

Citation

Structural interplay between calcium(II) and copper(II) binding to S100A13 protein
Arnesano, F., Banci, L., Bertini, I., Fantoni, A., Tenori, L., Viezzoli, M.S.
Angew. Chem Int Ed Engl. (2005), 44, 6341-6344, PubMed 16145699 , DOI 10.1002/anie.200500540 , Abstract

Related entities 1. apo-S100A13, : 1 : 10 : 5 : 130 entities Detail

Interaction partners 1. apo-S100A13, : 9 interactors Detail

Experiments performed 3 experiments Detail