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 34356

Title: Solution Structure of the Cd-loaded form of a Metallothionein from Helix Pomatia

Deposition date: 2019-01-28 Original release date: 2019-12-13

Authors: Zerbe, O.; Jurt, S.; Beil, A.

Citation: Beil, A.; Jurt, S.; Schaefer, T.; Walser, R.; Atrian, S.; Capedvila, M.; Guentert, P.; Dallinger, R.; Zerbe, O.. "The solution structures of the Cd- and Zn-loaded Metallothionein Species from Helix Pomatia"  . ., .-..

Assembly members:
entity_1, polymer, 67 residues, 6635.640 Da.
entity_CD, non-polymer, 112.411 Da.

Natural source:   Common Name: Roman snail   Taxonomy ID: 6536   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Helix pomatia

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):
entity_1: GSGKGKGEKCTSACRSEPCQ CGSKCQCGEGCTCAACKTCN CTSDGCKCGKECTGPDSCKC GSSCSCK

Data sets:
Data typeCount
13C chemical shifts167
15N chemical shifts62
1H chemical shifts346

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_2, 12
3entity_2, 22
4entity_2, 32
5entity_2, 42
6entity_2, 52
7entity_2, 62

Entities:

Entity 1, entity_1 67 residues - 6635.640 Da.

1   GLYSERGLYLYSGLYLYSGLYGLULYSCYS
2   THRSERALACYSARGSERGLUPROCYSGLN
3   CYSGLYSERLYSCYSGLNCYSGLYGLUGLY
4   CYSTHRCYSALAALACYSLYSTHRCYSASN
5   CYSTHRSERASPGLYCYSLYSCYSGLYLYS
6   GLUCYSTHRGLYPROASPSERCYSLYSCYS
7   GLYSERSERCYSSERCYSLYS

Entity 2, entity_2, 1 - Cd - 112.411 Da.

1   CD

Samples:

sample_1: entity_1, [U-13C; U-15N], 0.5 mM; TRIS, [U-2H], 10 ± 1 mM; TSP, none, 1 ± 0.1 mM

sample_2: entity_1, [U-13C; U-15N], 0.5 mM; TRIS, [U-2H], 10 ± 1 mM; TSP, none, 1 ± 0.1 mM

sample_conditions_1: ionic strength: 20 mM; pH: 7.0; pressure: 1.0 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_2isotropicsample_conditions_1
3D HNCACOsample_2isotropicsample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

CYANA v3.85, Guntert, Mumenthaler and Wuthrich - structure calculation

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

CARA, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

  • Bruker Neo 600 MHz
  • Bruker Neo 700 MHz

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