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Found 1 Document (6.125 seconds)

BMRB: 7068

2GA7

Solution structure and intermolecular interactions of the Copper form of third metal-binding domain of ATP7A, the menkes disease protein

Authors

Banci, L., Bertini, I., Cantini, F., DellaMalva, N., Rosato, A., Herrmann, T., Wuthrich, K.

Assembly

Copper-transporting ATPase 1 (E.C.3.6.3.4)

Entity

1. Copper-transporting ATPase 1 (polymer, Thiol state: all other bound), 90 monomers, 9859.925 Da Detail

NDSTATFIID GMHCKSCVSN IESTLSALQY VSSIVVSLEN RSAIVVYNAS SVTPESLRKA IEAVSPGLYR VSITSEVEIE GRLEHHHHHH

2. CU1 (non-polymer), 63.546 Da

Total weight

9923.471 Da

Max. entity weight

9859.925 Da

Entity Connection

na 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS14:SG	2:CU11:CU
2	na	sing	1:CYS17:SG	2:CU11:CU

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

Torsion angle dynamics coupled with simulated annealing followed by restrained energy minimization

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 87.8 %, Completeness: 75.4 %, Completeness (bb): 72.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	75.4 % (746 of 990)	81.5 % (410 of 503)	65.5 % (258 of 394)	83.9 % (78 of 93)
Backbone	72.8 % (390 of 536)	82.9 % (150 of 181)	61.8 % (165 of 267)	85.2 % (75 of 88)
Sidechain	79.5 % (430 of 541)	80.7 % (260 of 322)	78.0 % (167 of 214)	60.0 % (3 of 5)
Aromatic	35.5 % (22 of 62)	54.8 % (17 of 31)	16.1 % (5 of 31)
Methyl	91.5 % (108 of 118)	89.8 % (53 of 59)	93.2 % (55 of 59)

1. Copper-transporting ATPase 1

NDSTATFIID GMHCKSCVSN IESTLSALQY VSSIVVSLEN RSAIVVYNAS SVTPESLRKA IEAVSPGLYR VSITSEVEIE GRLEHHHHHH

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Concentration
1	Copper-transporting ATPase 1	1 mM
2	phosphate_buffer	100 mM
3	H2O	90 %
4	D2O	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methyl carbons	69.4 ppm	null	direct	1.0
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.0

Referencing offset: -0.06 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methyl carbons	69.4 ppm	null	direct	1.0
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.0

Referencing offset: -0.06 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methyl carbons	69.4 ppm	null	direct	1.0
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.0

Referencing offset: -0.08 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 30 models in PDB: 2GA7, Strand ID: A Detail

Release date

2006-09-06

Citation

Solution structure and intermolecular interactions of the third metal-binding domain of ATP7A, the Menkes disease protein
Banci, L., Bertini, I., Cantini, F., DellaMalva, N., Herrmann, T., Rosato, A., Wuthrich, K.
J. Biol. Chem. (2006), 281, 29141-29147, PubMed 16873374 , DOI 10.1074/jbc.M603176200 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 7069 released on 2006-09-06
Title Solution structure and intermolecular interactions of the apo form of third metal-binding domain of ATP7A, the menkes disease protein

Related entities 1. Copper-transporting ATPase 1, : 1 : 1 : 2 : 64 entities Detail

Interaction partners 1. Copper-transporting ATPase 1, : 5 interactors Detail

More details for 5 interactors identified by 3 citations

Experiments performed 8 experiments Detail

1 2D NOESY

Instrument

Model Bruker AVANCE (800 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Concentration
1	Copper-transporting ATPase 1	1 mM
2	phosphate_buffer	100 mM
3	H2O	90 %
4	D2O	10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
5	Copper-transporting ATPase 1	[U-15N]	0.5 mM
6	phosphate_buffer		100 mM
7	H2O		90 %
8	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
9	Copper-transporting ATPase 1	[U-15N; U-13C]	0.5 mM
10	phosphate_buffer		100 mM
11	H2O		90 %
12	D2O		10 %

2 2D TOCSY

Instrument

Model Bruker AVANCE (800 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Concentration
1	Copper-transporting ATPase 1	1 mM
2	phosphate_buffer	100 mM
3	H2O	90 %
4	D2O	10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
5	Copper-transporting ATPase 1	[U-15N]	0.5 mM
6	phosphate_buffer		100 mM
7	H2O		90 %
8	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
9	Copper-transporting ATPase 1	[U-15N; U-13C]	0.5 mM
10	phosphate_buffer		100 mM
11	H2O		90 %
12	D2O		10 %

3 3D 15N-separated NOESY

Instrument

Model Bruker AVANCE (800 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Concentration
1	Copper-transporting ATPase 1	1 mM
2	phosphate_buffer	100 mM
3	H2O	90 %
4	D2O	10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
5	Copper-transporting ATPase 1	[U-15N]	0.5 mM
6	phosphate_buffer		100 mM
7	H2O		90 %
8	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
9	Copper-transporting ATPase 1	[U-15N; U-13C]	0.5 mM
10	phosphate_buffer		100 mM
11	H2O		90 %
12	D2O		10 %

4 CBCACONH

Instrument

Model Bruker AVANCE (800 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Concentration
1	Copper-transporting ATPase 1	1 mM
2	phosphate_buffer	100 mM
3	H2O	90 %
4	D2O	10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
5	Copper-transporting ATPase 1	[U-15N]	0.5 mM
6	phosphate_buffer		100 mM
7	H2O		90 %
8	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
9	Copper-transporting ATPase 1	[U-15N; U-13C]	0.5 mM
10	phosphate_buffer		100 mM
11	H2O		90 %
12	D2O		10 %

5 CBCANH

Instrument

Model Bruker AVANCE (800 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Concentration
1	Copper-transporting ATPase 1	1 mM
2	phosphate_buffer	100 mM
3	H2O	90 %
4	D2O	10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
5	Copper-transporting ATPase 1	[U-15N]	0.5 mM
6	phosphate_buffer		100 mM
7	H2O		90 %
8	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
9	Copper-transporting ATPase 1	[U-15N; U-13C]	0.5 mM
10	phosphate_buffer		100 mM
11	H2O		90 %
12	D2O		10 %

6 h(CCH)-TOCSY

Instrument

Model Bruker AVANCE (800 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Concentration
1	Copper-transporting ATPase 1	1 mM
2	phosphate_buffer	100 mM
3	H2O	90 %
4	D2O	10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
5	Copper-transporting ATPase 1	[U-15N]	0.5 mM
6	phosphate_buffer		100 mM
7	H2O		90 %
8	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
9	Copper-transporting ATPase 1	[U-15N; U-13C]	0.5 mM
10	phosphate_buffer		100 mM
11	H2O		90 %
12	D2O		10 %

7 3D 13C-separated NOESY

Instrument

Model Bruker AVANCE (800 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Concentration
1	Copper-transporting ATPase 1	1 mM
2	phosphate_buffer	100 mM
3	H2O	90 %
4	D2O	10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
5	Copper-transporting ATPase 1	[U-15N]	0.5 mM
6	phosphate_buffer		100 mM
7	H2O		90 %
8	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
9	Copper-transporting ATPase 1	[U-15N; U-13C]	0.5 mM
10	phosphate_buffer		100 mM
11	H2O		90 %
12	D2O		10 %

8 15N-HSQC

Instrument

Model Bruker AVANCE (800 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Concentration
1	Copper-transporting ATPase 1	1 mM
2	phosphate_buffer	100 mM
3	H2O	90 %
4	D2O	10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
5	Copper-transporting ATPase 1	[U-15N]	0.5 mM
6	phosphate_buffer		100 mM
7	H2O		90 %
8	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
9	Copper-transporting ATPase 1	[U-15N; U-13C]	0.5 mM
10	phosphate_buffer		100 mM
11	H2O		90 %
12	D2O		10 %

nullKeywords copper(I), Menkes disease-associated protein, NMR, solution structure, SPINE, Structural Genomics, Structural Proteomics in Europe

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Found 1 Document (6.125 seconds)

BMRB: 7068

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. Copper-transporting ATPase 1, : 1 : 1 : 2 : 64 entities Detail

Interaction partners 1. Copper-transporting ATPase 1, : 5 interactors Detail

Experiments performed 8 experiments Detail

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