BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

BMRB Entry 28101

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR28101

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Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for Scc4 in Chlamydia Trachomatis   PubMed: 32617786

Deposition date: 2020-03-20 Original release date: 2021-07-16

Authors: Ukwaththage, Thilini; Tonelli, Marco; Macnaughtan, Megan

Citation: Ukwaththage, Thilini; Tonelli, Marco; Macnaughtan, Megan. "Backbone resonance assignments and secondary structure of Scc4 from Chlamydia trachomatis"  Biomol. NMR Assign. 14, 301-307 (2020).

Assembly members:
Scc4, polymer, 133 residues, Formula weight is not available

Natural source:   Common Name: Chlamydia trachomatis   Taxonomy ID: 813   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Chlamydia trachomatis

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28Scc4

Entity Sequences (FASTA):
Scc4: MLEKLIKNFVAYMGVASELE FDADGSYVFPISSLVRMRVR QNADEEIIISAFLGEIPASM DIEKAYARMMEGNLFGQETG GAALGLDSDGHAVLVRRVPG EVSQEDFASYIESVLNYAEA WLEDLGLSKTEQE

Data sets:
Data typeCount
13C chemical shifts530
15N chemical shifts124
1H chemical shifts796

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Scc4, subunit 11
2Scc4, subunit 21

Entities:

Entity 1, Scc4, subunit 1 133 residues - Formula weight is not available

1   METLEUGLULYSLEUILELYSASNPHEVAL
2   ALATYRMETGLYVALALASERGLULEUGLU
3   PHEASPALAASPGLYSERTYRVALPHEPRO
4   ILESERSERLEUVALARGMETARGVALARG
5   GLNASNALAASPGLUGLUILEILEILESER
6   ALAPHELEUGLYGLUILEPROALASERMET
7   ASPILEGLULYSALATYRALAARGMETMET
8   GLUGLYASNLEUPHEGLYGLNGLUTHRGLY
9   GLYALAALALEUGLYLEUASPSERASPGLY
10   HISALAVALLEUVALARGARGVALPROGLY
11   GLUVALSERGLNGLUASPPHEALASERTYR
12   ILEGLUSERVALLEUASNTYRALAGLUALA
13   TRPLEUGLUASPLEUGLYLEUSERLYSTHR
14   GLUGLNGLU

Samples:

sample_1: Scc4, [U-99% 13C; U-99% 15N], 0.5 mM; D2O, [U-99% 2H], 10%; DSS 5 uM; H2O 90%; sodium phosphate 50 mM

sample_conditions_1: pH: 7.3; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
1H-13C-HSQC-CT-2Dsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HC(C)H-TOCSYsample_1isotropicsample_conditions_1
2D Aromatic 1H, 13C-HSQC-CTsample_1isotropicsample_conditions_1
2D Aromatic Cb-13CHSQC-CTsample_1isotropicsample_conditions_1
2D (HB)CB(CGCD)HDsample_1isotropicsample_conditions_1
2D (HB)CB(CGCDCE)HEsample_1isotropicsample_conditions_1
3D Aromatic HCCH-TOCSYsample_1isotropicsample_conditions_1

Software:

NMR-Sparky v3.135, Goddard - chemical shift assignment, peak picking

TOPSPIN, Bruker Biospin - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

VNMRJ, Varian - collection

NMR spectrometers:

  • Varian/Agilent VNMRS 600 MHz
  • Varian/Agilent VNMRS 800 MHz

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