BMRB Entry 16761

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16761

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Title:
Solution structue of the N-domain of Wilson disease protein: Distinct nucleotide-binding environment and effects of disease mutations
Deposition date:
2010-03-03
Original release date:
2010-03-24
Authors:
Dmtriev, Oleg; Tsivkovski, Ruslan; Abildgaard, Frits; Morgan, Clinton; Markley, John; Lutsenko, Svetlana
Citation:

Citation: Dmtriev, Oleg; Tsivkovski, Ruslan; Abildgaard, Frits; Morgan, Clinton; Markley, John; Lutsenko, Svetlana. "Solution structure of the N-domain of Wilson disease protein: Distinct nucleotide-binding environment and effects of disease mutations"  Proc. Natl. Acad. Sci. U.S.A. 103, 5302-5307 (2006).
PubMed: 16567646

Assembly members:

Assembly members:
ATP7B, polymer, 165 residues, Formula weight is not available
ATP, non-polymer, 507.181 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pTYB12NABD

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ATP7B: AGHMVPRVMRVLLLGDVATL PLRKVLAVVGTAEASSEHPL GVAVTKYCKEELGTETLGYC TDFQAVPGCGIGCKVSNVEG ILAHSERPLSAPASHLNEAG SLPAEKDAVPQTFSVLIGNR EWLRRNGLTISSDVSDAMTD HEMKGQTAILVAIDGVLCGM IAIAD

Data sets:
  • binding constants
Data typeCount
binding constants1

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1ATP7B N-domain1
2ATP2

Entities:

Entity 1, ATP7B N-domain 165 residues - Formula weight is not available

1   ALAGLYHISMETVALPROARGVALMETARG
2   VALLEULEULEUGLYASPVALALATHRLEU
3   PROLEUARGLYSVALLEUALAVALVALGLY
4   THRALAGLUALASERSERGLUHISPROLEU
5   GLYVALALAVALTHRLYSTYRCYSLYSGLU
6   GLULEUGLYTHRGLUTHRLEUGLYTYRCYS
7   THRASPPHEGLNALAVALPROGLYCYSGLY
8   ILEGLYCYSLYSVALSERASNVALGLUGLY
9   ILELEUALAHISSERGLUARGPROLEUSER
10   ALAPROALASERHISLEUASNGLUALAGLY
11   SERLEUPROALAGLULYSASPALAVALPRO
12   GLNTHRPHESERVALLEUILEGLYASNARG
13   GLUTRPLEUARGARGASNGLYLEUTHRILE
14   SERSERASPVALSERASPALAMETTHRASP
15   HISGLUMETLYSGLYGLNTHRALAILELEU
16   VALALAILEASPGLYVALLEUCYSGLYMET
17   ILEALAILEALAASP

Entity 2, ATP - C10 H16 N5 O13 P3 - 507.181 Da.

1   ATP

Samples:

sample_1: sodium hydrogen phosphate 50 mM; DTT 5 mM; sodium azide 50 uM; ATP7B0.5 – 1 mM; ATP 5 mM; H2O 100%

sample_2: sodium hydrogen phosphate 50 mM; DTT 5 mM; sodium azide 50 uM; ATP7B0.5 – 1 mM; H2O 100%

sample_conditions_1: pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1

Software:

AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - peak picking

MAPPER, (Guntert, P., Salzmann, M., Braun, D. & Wuthrich, K., 2000) - peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - distance constraints

Molmol, Koradi, Billeter and Wuthrich - data analysis

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

PDB
DBJ BAD92698 BAG63463
GB AAA79212 AAA92667 AAB52902 AAI17201 AAI43974
PIR S40525
PRF 2001422A
REF NP_000044 NP_001005918 NP_001230111 XP_001103242 XP_003270167
SP P35670
AlphaFold P35670