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 34447

Title: Bam_5920cDD 5919nDD docking domains

Deposition date: 2019-11-08 Original release date: 2020-08-06

Authors: Risser, F.; Chagot, B.

Citation: Risser, F.; Dos Santos-Morais, R.; Collin, S.; Gruez, A.; Chagot, B.; Weissman, K.. "Understanding Intersubunit Interactions in the Enacyloxin Mixed cis-/trans-AT Polyketide Synthase"  . ., .-..

Assembly members:
entity_1, polymer, 64 residues, 6734.480 Da.

Natural source:   Common Name: Burkholderia ambifaria   Taxonomy ID: 339670   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Burkholderia ambifaria

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

Entity Sequences (FASTA):
entity_1: GPGSYDAALPIDELSALLRQ EMGDDGGGSGGGSMQDIQQL LAKSLTEIKRLKAANQALEQ ARRE

Data sets:
Data typeCount
13C chemical shifts504
15N chemical shifts144
1H chemical shifts868

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11
2unit_21

Entities:

Entity 1, unit_1 64 residues - 6734.480 Da.

1   GLYPROGLYSERTYRASPALAALALEUPRO
2   ILEASPGLULEUSERALALEULEUARGGLN
3   GLUMETGLYASPASPGLYGLYGLYSERGLY
4   GLYGLYSERMETGLNASPILEGLNGLNLEU
5   LEUALALYSSERLEUTHRGLUILELYSARG
6   LEULYSALAALAASNGLNALALEUGLUGLN
7   ALAARGARGGLU

Samples:

sample_1: protein, [U-100% 13C; U-100% 15N], 1 mM

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1

Software:

Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

Sparky, Goddard - chemical shift assignment

TopSpin, Bruker Biospin - collection

NMR spectrometers:

  • Bruker DRX 600 MHz

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