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 PubMed: 16567646
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: 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).
Assembly members:
ATP7B, polymer, 165 residues, Formula weight is not available
ATP, non-polymer, 507.181 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
ATP7B: AGHMVPRVMRVLLLGDVATL
PLRKVLAVVGTAEASSEHPL
GVAVTKYCKEELGTETLGYC
TDFQAVPGCGIGCKVSNVEG
ILAHSERPLSAPASHLNEAG
SLPAEKDAVPQTFSVLIGNR
EWLRRNGLTISSDVSDAMTD
HEMKGQTAILVAIDGVLCGM
IAIAD
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ATP7B N-domain | 1 |
| 2 | ATP | 2 |
Entities:
Entity 1, ATP7B N-domain 165 residues - Formula weight is not available
| 1 | ALA | GLY | HIS | MET | VAL | PRO | ARG | VAL | MET | ARG | ||||
| 2 | VAL | LEU | LEU | LEU | GLY | ASP | VAL | ALA | THR | LEU | ||||
| 3 | PRO | LEU | ARG | LYS | VAL | LEU | ALA | VAL | VAL | GLY | ||||
| 4 | THR | ALA | GLU | ALA | SER | SER | GLU | HIS | PRO | LEU | ||||
| 5 | GLY | VAL | ALA | VAL | THR | LYS | TYR | CYS | LYS | GLU | ||||
| 6 | GLU | LEU | GLY | THR | GLU | THR | LEU | GLY | TYR | CYS | ||||
| 7 | THR | ASP | PHE | GLN | ALA | VAL | PRO | GLY | CYS | GLY | ||||
| 8 | ILE | GLY | CYS | LYS | VAL | SER | ASN | VAL | GLU | GLY | ||||
| 9 | ILE | LEU | ALA | HIS | SER | GLU | ARG | PRO | LEU | SER | ||||
| 10 | ALA | PRO | ALA | SER | HIS | LEU | ASN | GLU | ALA | GLY | ||||
| 11 | SER | LEU | PRO | ALA | GLU | LYS | ASP | ALA | VAL | PRO | ||||
| 12 | GLN | THR | PHE | SER | VAL | LEU | ILE | GLY | ASN | ARG | ||||
| 13 | GLU | TRP | LEU | ARG | ARG | ASN | GLY | LEU | THR | ILE | ||||
| 14 | SER | SER | ASP | VAL | SER | ASP | ALA | MET | THR | ASP | ||||
| 15 | HIS | GLU | MET | LYS | GLY | GLN | THR | ALA | ILE | LEU | ||||
| 16 | VAL | ALA | ILE | ASP | GLY | VAL | LEU | CYS | GLY | MET | ||||
| 17 | ILE | ALA | ILE | ALA | ASP |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_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 |