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 4985

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4985

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Title: Letter to the Editor: 1H, 13C, and 15N assignment of the flavodoxin-like domain of the Escherichia coli sulfite reductase

Deposition date: 2001-04-06 Original release date: 2001-10-08

Authors: Sibille, Nathalie; Coves, Jacques; Marion, Dominique; Brutscher, Bernhard; Bersch, Beate

Citation: Sibille, Nathalie; Coves, Jacques; Marion, Dominique; Brutscher, Bernhard; Bersch, Beate. "Letter to the Editor: 1H, 13C, and 15N assignment of the flavodoxin-like domain of the Escherichia coli sulfite reductase"  J. Biomol. NMR 21, 71-72 (2001).

Assembly members:
Sulfite reductase flavodoxin-like domain, polymer, 167 residues, 17870 Da.
FMN, non-polymer, 456.344 Da.

Natural source:   Common Name: Escherichia coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

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

Entity Sequences (FASTA):
Sulfite reductase flavodoxin-like domain: ATPAPAAEMPGITIISASQT GNARRVAEALRDDLLAAKLN VKLVNAGDYKFKQIASEKLL IVVTSTQGEGEPPEEAVALH KFLFSKKAPKLENTAFAVFS LGDTSYEFFCQSGKDFDSKL AELGGERLLDRVDADVEYQA AASEWRARVVDALKSRAPVA APSQSVA

Data sets:
Data typeCount
13C chemical shifts663
1H chemical shifts1068
15N chemical shifts166

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1flavodoxin-like domain1
2flavin mononucleotide2

Entities:

Entity 1, flavodoxin-like domain 167 residues - 17870 Da.

1   ALATHRPROALAPROALAALAGLUMETPRO
2   GLYILETHRILEILESERALASERGLNTHR
3   GLYASNALAARGARGVALALAGLUALALEU
4   ARGASPASPLEULEUALAALALYSLEUASN
5   VALLYSLEUVALASNALAGLYASPTYRLYS
6   PHELYSGLNILEALASERGLULYSLEULEU
7   ILEVALVALTHRSERTHRGLNGLYGLUGLY
8   GLUPROPROGLUGLUALAVALALALEUHIS
9   LYSPHELEUPHESERLYSLYSALAPROLYS
10   LEUGLUASNTHRALAPHEALAVALPHESER
11   LEUGLYASPTHRSERTYRGLUPHEPHECYS
12   GLNSERGLYLYSASPPHEASPSERLYSLEU
13   ALAGLULEUGLYGLYGLUARGLEULEUASP
14   ARGVALASPALAASPVALGLUTYRGLNALA
15   ALAALASERGLUTRPARGALAARGVALVAL
16   ASPALALEULYSSERARGALAPROVALALA
17   ALAPROSERGLNSERVALALA

Entity 2, flavin mononucleotide - C17 H21 N4 O9 P - 456.344 Da.

1   FMN

Samples:

13C_15N_2H: Sulfite reductase flavodoxin-like domain, [U-98% 15N; U-98% 13C; U-77% 2H], 1.4 mM; FLAVIN MONONUCLEOTIDE 1.54 mM; potassium phosphate 100 mM; H2O 90%; D2O 10%

13C_15N: Sulfite reductase flavodoxin-like domain, [U-98% 15N; U-98% 13C], 1.8 mM; FLAVIN MONONUCLEOTIDE 1.98 mM; potassium phosphate 100 mM; H2O 90%; D2O 10%

13C_15N(D2O): Sulfite reductase flavodoxin-like domain, [U-98% 15N; U-98% 13C], 1.8 mM; FLAVIN MONONUCLEOTIDE 1.98 mM; potassium phosphate 100 mM; D2O 100%

15N: Sulfite reductase flavodoxin-like domain, [U-98% 13C], 1.3 mM; FLAVIN MONONUCLEOTIDE 1.43 mM; potassium phosphate 100 mM; H2O 90%; D2O 10%

cond_set_1: pH: 7.0; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
1H-15N HSQCnot availablenot availablecond_set_1
HNCOnot availablenot availablecond_set_1
MQ-HNCOCAnot availablenot availablecond_set_1
MQ-COHNCAnot availablenot availablecond_set_1
HN(CA)COnot availablenot availablecond_set_1
HN(CA)CBnot availablenot availablecond_set_1
HN(COCA)CBnot availablenot availablecond_set_1
15N NOESY-HSQCnot availablenot availablecond_set_1
15N TOCSY-HSQCnot availablenot availablecond_set_1
(H)C(CO)NH-TOCSYnot availablenot availablecond_set_1
H(CCO)NH-TOCSYnot availablenot availablecond_set_1
(H)CCH-TOCSYnot availablenot availablecond_set_1

Software:

FELIX v2000 -

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz

Related Database Links:

PDB
DBJ BAB37042 BAE76841 BAG78544 BAI27026 BAI32055
EMBL CAP77195 CAQ33089 CAQ87864 CAQ99689 CAR04272
GB AAA23650 AAA69274 AAC75806 AAG57872 AAN44269
REF NP_289314 NP_311646 NP_417244 NP_708562 NP_755202
SP A1AEV0 A7ZQK7 A8A3P5 B1IU77 P38038

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