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BMRB: 16536

2KOY

Structure of the E1064A mutant of the N-domain of Wilson Disease Associated Protein

Authors

Dmitriev, O.Y.

Assembly

Wilson Disease Associated Protein

Entity

1. Wilson Disease Associated Protein (polymer, Thiol state: all free), 141 monomers, 14738.05 Da Detail

AGHMVPRVMR VLLLGDVATL PLRKVLAVVG TAAASSEHPL GVAVTKYCKE ELGTETLGYC TDFQAVPGCG IGCKVSNVEG ILAAVPQTFS VLIGNREWLR RNGLTISSDV SDAMTDHEMK GQTAILVAID GVLCGMIAIA D

Formula weight

14738.05 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 88.5 %, Completeness (bb): 97.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.5 % (1347 of 1522)	87.4 % (675 of 772)	87.5 % (531 of 607)	98.6 % (141 of 143)
Backbone	97.0 % (811 of 836)	97.3 % (284 of 292)	96.3 % (393 of 408)	98.5 % (134 of 136)
Sidechain	80.8 % (656 of 812)	81.5 % (391 of 480)	79.4 % (258 of 325)	100.0 % (7 of 7)
Aromatic	20.0 % (12 of 60)	36.7 % (11 of 30)	0.0 % (0 of 29)	100.0 % (1 of 1)
Methyl	90.5 % (190 of 210)	97.1 % (102 of 105)	83.8 % (88 of 105)

1. E1064A mutant

AGHMVPRVMR VLLLGDVATL PLRKVLAVVG TAAASSEHPL GVAVTKYCKE ELGTETLGYC TDFQAVPGCG IGCKVSNVEG ILAAVPQTFS VLIGNREWLR RNGLTISSDV SDAMTDHEMK GQTAILVAID GVLCGMIAIA D

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	DTT	natural abundance	5 mM
3	DSS	natural abundance	0.3 mM
4	H2O	natural abundance	95 %
5	D2O	natural abundance	5 %
6	protein	[13C; 15N]	0.8 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.24 ppm, Outliers: 5 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.24 ppm, Outliers: 5 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.07 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.1 ppm, Outliers: 3 Detail

Protein Blocks Logo

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

Release date

2012-08-02

Citation

The structure of the E1064A mutant reveals ATP-dependent conformational changes in the ATP7B N-domain
Dmitriev, O.Y., Lutsenko, S.L., Uhelmann, E.E.
Biochemistry

Related entities 1. Wilson Disease Associated Protein, : 1 : 104 entities Detail

Interaction partners 1. Wilson Disease Associated Protein, : 2 interactors Detail

More details for 2 interactors identified by 1 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC