BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 18301

Title: Metal binding repeat 2 of the Wilson disease protein (ATP7B)   PubMed: 23751120

Deposition date: 2012-02-28 Original release date: 2013-07-01

Authors: Nokhrin, Sergiy; Dolgova, Nataliya; Yu, Corey; Dmitriev, Oleg

Citation: Dolgova, Nataliya; Nokhrin, Sergiy; Yu, Corey; George, Graham; Dmitriev, Oleg. "Copper chaperone Atox1 interacts with the metal-binding domain of Wilson's disease protein in cisplatin detoxification."  Biochem. J. 454, 147-156 (2013).

Assembly members:
MBD2, polymer, 76 residues, 8427.775 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):
MBD2: AGHMQEAVVKLRVEGMTCQS CVSSIEGKVRKLQGVVRVKV SLSNQEAVITYQPYLIQPED LRDHVNDMGFEAAIKS

Data sets:
Data typeCount
13C chemical shifts281
15N chemical shifts69
1H chemical shifts413

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1MBD21

Entities:

Entity 1, MBD2 76 residues - 8427.775 Da.

1   ALAGLYHISMETGLNGLUALAVALVALLYS
2   LEUARGVALGLUGLYMETTHRCYSGLNSER
3   CYSVALSERSERILEGLUGLYLYSVALARG
4   LYSLEUGLNGLYVALVALARGVALLYSVAL
5   SERLEUSERASNGLNGLUALAVALILETHR
6   TYRGLNPROTYRLEUILEGLNPROGLUASP
7   LEUARGASPHISVALASNASPMETGLYPHE
8   GLUALAALAILELYSSER

Samples:

sample_1: Tris-Cl, [U-2H], 50 mM; DSS 0.5 mM; sodium azide 0.05 mM; D2O, [U-2H], 5%; TCEP (tris(2-carboxyethyl)phosphine) 5 mM; H2O, [U-2H], 95%; MBD2, [U-2H], 0.9 mM

sample_conditions_1: ionic strength: 50 mM; pH: 7.4; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicnot available
3D HNCOsample_1isotropicnot available
3D HNCAsample_1isotropicnot available
3D HNCACBsample_1isotropicnot available
3D HN(CO)CACBsample_1isotropicnot available
3D C(CO)NHsample_1isotropicnot available
3D H(CCO)NHsample_1isotropicnot available
3D 1H-15N TOCSYsample_1isotropicnot available
3D 1H-15N NOESYsample_1isotropicnot available
3D 1H-13C NOESYsample_1isotropicnot available
3D HN(CA)COsample_1isotropicnot available

Software:

CYANA_3.0, Guntert, Mumenthaler and Wuthrich - structure solution

AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

CARA v1.9.0, F. Damberger, R. Keller - chemical shift assignment

FELIX, Accelrys Software Inc. - peak picking, processing

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

PDB

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts