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:

Citation: Risser, F.; Collin, S.; Dos Santos-Morais, R.; Gruez, A.; Chagot, B.; Weissman, K.. "Towards improved understanding of intersubunit interactions in modular polyketide biosynthesis: Docking in the enacyloxin IIa polyketide synthase"  J. Struct. Biol. 212, 107581-107581 (2020).
PubMed: 32717326

Assembly members:

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

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pBG102

Entity Sequences (FASTA):

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 HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks