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Found 1 Document (3.172 seconds)

BMRB: 6531

1YUU

Solution structure of Calcium-S100A13 (minimized mean structure)

Authors

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

Assembly

S100 calcium-binding protein A13

Entity

1. S100 calcium-binding protein A13 (polymer, Thiol state: not present), 98 monomers, 11471.04 × 2 Da Detail

MAAEPLTELE ESIETVVTTF FTFARQEGRK DSLSVNEFKE LVTQQLPHLL KDVGSLDEKM KSLDVNQDSE LKFNEYWRLI GELAKEIRKK KDLKIRKK

2. CA (non-polymer), 40.078 × 4 Da

Total weight

23102.393 Da

Max. entity weight

11471.04 Da

Entity Connection

na 23 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	2:CA1:CA	1:ALA24:O
2	na	sing	2:CA1:CA	1:GLU27:O
3	na	sing	2:CA1:CA	1:ARG29:O
4	na	sing	2:CA1:CA	1:SER32:O
5	na	sing	2:CA1:CA	1:GLU37:OE1
6	na	sing	2:CA1:CA	1:GLU37:OE2
7	na	sing	2:CA1:CA	1:ASP64:OD1
8	na	sing	2:CA1:CA	1:ASN66:OD1
9	na	sing	2:CA1:CA	1:ASP68:OD1
10	na	sing	2:CA1:CA	1:GLU70:O
11	na	sing	2:CA1:CA	1:GLU75:OE1
12	na	sing	2:CA1:CA	1:GLU75:OE2
13	na	sing	2:CA1:CA	1:ALA24:O
14	na	sing	2:CA1:CA	1:ARG29:O
15	na	sing	2:CA1:CA	1:SER32:O
16	na	sing	2:CA1:CA	1:GLU37:OE1
17	na	sing	2:CA1:CA	1:GLU37:OE2
18	na	sing	2:CA1:CA	1:ASP64:OD1
19	na	sing	2:CA1:CA	1:ASN66:OD1
20	na	sing	2:CA1:CA	1:ASP68:OD1
21	na	sing	2:CA1:CA	1:GLU70:O
22	na	sing	2:CA1:CA	1:GLU75:OE1
23	na	sing	2:CA1:CA	1:GLU75:OE2

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

Restrained energy minimization

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.9 %, Completeness: 83.3 %, Completeness (bb): 92.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.3 % (1013 of 1216)	81.6 % (524 of 642)	83.2 % (391 of 470)	94.2 % (98 of 104)
Backbone	92.3 % (539 of 584)	90.4 % (178 of 197)	92.8 % (270 of 291)	94.8 % (91 of 96)
Sidechain	77.6 % (564 of 727)	77.8 % (346 of 445)	77.0 % (211 of 274)	87.5 % (7 of 8)
Aromatic	9.5 % (7 of 74)	16.2 % (6 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. S100 calcium-binding protein A13

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	Concentration
1	S100 calcium-binding protein A13	[U-13C; U-15N]	1.5 mM
2	sodium acetate buffer		20 mM
3	D2O		10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	water	na	null	null	1.0
¹⁵N	Urea	na	null	null	0.0
¹³C	Dioxane	na	null	null	0.0

Referencing offset: 3.24 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	water	na	null	null	1.0
¹⁵N	Urea	na	null	null	0.0
¹³C	Dioxane	na	null	null	0.0

Referencing offset: 3.24 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	water	na	null	null	1.0
¹⁵N	Urea	na	null	null	0.0
¹³C	Dioxane	na	null	null	0.0

Referencing offset: 0.09 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	water	na	null	null	1.0
¹⁵N	Urea	na	null	null	0.0
¹³C	Dioxane	na	null	null	0.0

Referencing offset: 2.33 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

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

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

  BMRB: 6532 released on 2006-02-21
    Title Solution structure of apo-S100A13
  Swiss-Prot: Q99584 released on 1997-11-01
    Title S10AD_HUMAN Entity Protein S100-A13

Related entities 1. S100 calcium-binding protein A13, : 1 : 10 : 5 : 130 entities Detail

Interaction partners 1. S100 calcium-binding protein A13, : 9 interactors Detail

More details for 9 interactors identified by 5 citations

Experiments performed 3 experiments Detail

nullKeywords S100A13, EF hand calcium-binding proteins, Copper(II), NMR structure, Structural Genomics, Structural Proteomics in Europe, SPINE

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Found 1 Document (3.172 seconds)

BMRB: 6531

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

Related entities 1. S100 calcium-binding protein A13, : 1 : 10 : 5 : 130 entities Detail

Interaction partners 1. S100 calcium-binding protein A13, : 9 interactors Detail

Experiments performed 3 experiments Detail

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