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BMRB: 16440

2KMV

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

Authors

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

Assembly

human Menkes protein

Entity

1. human Menkes protein (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

Formula weight

20249.62 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.2 %, Completeness: 89.3 %, Completeness (bb): 94.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.3 % (1855 of 2077)	90.0 % (960 of 1067)	87.9 % (703 of 800)	91.4 % (192 of 210)
Backbone	94.3 % (1041 of 1104)	94.2 % (356 of 378)	94.3 % (513 of 544)	94.5 % (172 of 182)
Sidechain	85.4 % (979 of 1147)	87.7 % (604 of 689)	82.6 % (355 of 430)	71.4 % (20 of 28)
Aromatic	44.7 % (42 of 94)	70.2 % (33 of 47)	20.0 % (9 of 45)	0.0 % (0 of 2)
Methyl	92.9 % (223 of 240)	94.2 % (113 of 120)	91.7 % (110 of 120)

1. human Menkes protein

Show sample condition

Sample #1

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

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

Sample #2

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

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

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methylene carbons	69.4 ppm	external	direct	1.0
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methylene carbons	69.4 ppm	external	direct	1.0
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methylene carbons	69.4 ppm	external	direct	1.0
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.0 ppm, Outliers: 3 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methylene carbons	69.4 ppm	external	direct	1.0
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.3 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KMV, 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

Related entities 1. human Menkes protein, : 1 : 1 : 2 : 54 entities Detail

Interaction partners 1. human Menkes protein, : 5 interactors Detail

More details for 5 interactors identified by 3 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC