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BMRB: 16441

2KMX

Solution structure of the nucleotide binding domain of the human Menkes protein in the ATP-bound form

Authors

Banci, L., Bertini, I., Cantini, F., Inagaki, S., Migliardi, M., Rosato, A.

Assembly

ATP-bound N-MNK

Entity

1. N-MNK (polymer, Thiol state: all free), 185 monomers, 20249.62 Da Detail

SFTMHGTPVV NQVKVLTESN RISHHKILAI VGTAESNSEH PLGTAITKYC KQELDTETLG TCIDFQVVPG CGISCKVTNI EGLLHKNNWN IEDNNIKNAS LVQIDASNEQ SSTSSSMIID AQISNALNAQ QYKVLIGNRE WMIRNGLVIN NDVNDFMTEH ERKGRTAVLV AVDDELCGLI AIADT

2. ATP (non-polymer), 507.181 Da

Total weight

20756.8 Da

Max. entity weight

20249.62 Da

Source organism

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.1 %, Completeness: 88.8 %, Completeness (bb): 93.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.8 % (1845 of 2077)	89.9 % (959 of 1067)	86.4 % (691 of 800)	92.9 % (195 of 210)
Backbone	93.5 % (1032 of 1104)	94.7 % (358 of 378)	92.1 % (501 of 544)	95.1 % (173 of 182)
Sidechain	85.3 % (978 of 1147)	87.2 % (601 of 689)	82.6 % (355 of 430)	78.6 % (22 of 28)
Aromatic	40.4 % (38 of 94)	68.1 % (32 of 47)	11.1 % (5 of 45)	50.0 % (1 of 2)
Methyl	91.7 % (220 of 240)	94.2 % (113 of 120)	89.2 % (107 of 120)

1. N-MNK

SFTMHGTPVV NQVKVLTESN RISHHKILAI VGTAESNSEH PLGTAITKYC KQELDTETLG TCIDFQVVPG CGISCKVTNI EGLLHKNNWN IEDNNIKNAS LVQIDASNEQ SSTSSSMIID AQISNALNAQ QYKVLIGNRE WMIRNGLVIN NDVNDFMTEH ERKGRTAVLV AVDDELCGLI AIADT

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	N-MNK	[U-99% 15N]		1.2 ~ 1.5 mM
2	ATP	natural abundance		1.2 ~ 1.5 mM
3	phosphate	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	D2O	natural abundance		10 %
6	H2O	natural abundance		90 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
7	N-MNK	[U-95% 13C; U-95% 15N]		0.8 ~ 1.0 mM
8	ATP	natural abundance		0.8 ~ 1.0 mM
9	phosphate	natural abundance		50 mM
10	DTT	natural abundance		2 mM
11	D2O	natural abundance		10 %
12	H2O	natural abundance		90 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2KMX, Strand ID: A Detail

Release date

2009-11-18

Citation

The binding mode of ATP revealed by the solution structure of the N-domain of human ATP7A
Banci, L., Bertini, I., Cantini, F., Inagaki, S., Migliardi, M., Rosato, A.
J. Biol. Chem. (2010), 285, 2537-2544, PubMed 19917612 , DOI 10.1074/jbc.M109.054262 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 16440 released on 2009-11-18
Title Solution structure of the nucleotide binding domain of the human Menkes protein in the ATP-free form

Related entities 1. N-MNK, : 1 : 1 : 2 : 54 entities Detail

Interaction partners 1. N-MNK, : 5 interactors Detail

More details for 5 interactors identified by 3 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	N-MNK	[U-99% 15N]		1.2 ~ 1.5 mM
2	ATP	natural abundance		1.2 ~ 1.5 mM
3	phosphate	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	D2O	natural abundance		10 %
6	H2O	natural abundance		90 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
7	N-MNK	[U-95% 13C; U-95% 15N]		0.8 ~ 1.0 mM
8	ATP	natural abundance		0.8 ~ 1.0 mM
9	phosphate	natural abundance		50 mM
10	DTT	natural abundance		2 mM
11	D2O	natural abundance		10 %
12	H2O	natural abundance		90 %

3 2D 1H-1H TOCSY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	N-MNK	[U-99% 15N]		1.2 ~ 1.5 mM
2	ATP	natural abundance		1.2 ~ 1.5 mM
3	phosphate	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	D2O	natural abundance		10 %
6	H2O	natural abundance		90 %

4 2D 1H-1H NOESY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	N-MNK	[U-99% 15N]		1.2 ~ 1.5 mM
2	ATP	natural abundance		1.2 ~ 1.5 mM
3	phosphate	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	D2O	natural abundance		10 %
6	H2O	natural abundance		90 %

5 3D HNCO

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
7	N-MNK	[U-95% 13C; U-95% 15N]		0.8 ~ 1.0 mM
8	ATP	natural abundance		0.8 ~ 1.0 mM
9	phosphate	natural abundance		50 mM
10	DTT	natural abundance		2 mM
11	D2O	natural abundance		10 %
12	H2O	natural abundance		90 %

6 3D HNCA

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
7	N-MNK	[U-95% 13C; U-95% 15N]		0.8 ~ 1.0 mM
8	ATP	natural abundance		0.8 ~ 1.0 mM
9	phosphate	natural abundance		50 mM
10	DTT	natural abundance		2 mM
11	D2O	natural abundance		10 %
12	H2O	natural abundance		90 %

7 3D CBCA(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
7	N-MNK	[U-95% 13C; U-95% 15N]		0.8 ~ 1.0 mM
8	ATP	natural abundance		0.8 ~ 1.0 mM
9	phosphate	natural abundance		50 mM
10	DTT	natural abundance		2 mM
11	D2O	natural abundance		10 %
12	H2O	natural abundance		90 %

8 3D HNCACB

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
7	N-MNK	[U-95% 13C; U-95% 15N]		0.8 ~ 1.0 mM
8	ATP	natural abundance		0.8 ~ 1.0 mM
9	phosphate	natural abundance		50 mM
10	DTT	natural abundance		2 mM
11	D2O	natural abundance		10 %
12	H2O	natural abundance		90 %

9 3D 1H-15N NOESY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	N-MNK	[U-99% 15N]		1.2 ~ 1.5 mM
2	ATP	natural abundance		1.2 ~ 1.5 mM
3	phosphate	natural abundance		50 mM
4	DTT	natural abundance		2 mM
5	D2O	natural abundance		10 %
6	H2O	natural abundance		90 %

10 3D 1H-13C NOESY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
7	N-MNK	[U-95% 13C; U-95% 15N]		0.8 ~ 1.0 mM
8	ATP	natural abundance		0.8 ~ 1.0 mM
9	phosphate	natural abundance		50 mM
10	DTT	natural abundance		2 mM
11	D2O	natural abundance		10 %
12	H2O	natural abundance		90 %

nullKeywords ATP7A, ATPase, Menkes, NMR, nucleotide binding protein