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 19945

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19945
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry

Title: holo FldA

Deposition date: 2014-04-27 Original release date: 2015-05-18

Authors: Jin, Changwen; Hu, Yunfei; Ye, Qian

Citation: Jin, Changwen; Hu, Yunfei; Ye, Qian. "NMR study of YqcA from Escherichia coli"  Biochem. J. ., .-..

Assembly members:
entity_1, polymer, 176 residues, 19755.035 Da.
FLAVIN MONONUCLEOTIDE, non-polymer, 456.344 Da.

Natural source:   Common Name: E. 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):
entity_1: MAITGIFFGSDTGNTENIAK MIQKQLGKDVADVHDIAKSS KEDLEAYDILLLGIPTWYYG EAQCDWDDFFPTLEEIDFNG KLVALFGCGDQEDYAEYFCD ALGTIRDIIEPRGATIVGHW PTAGYHFEASKGLADDDHFV GLAIDEDRQPELTAERVEKW VKQISEELHLDEILNA

Data sets:
Data typeCount
13C chemical shifts739
15N chemical shifts184
1H chemical shifts1125

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2FLAVIN MONONUCLEOTIDE2

Entities:

Entity 1, entity_1 176 residues - 19755.035 Da.

1   METALAILETHRGLYILEPHEPHEGLYSER
2   ASPTHRGLYASNTHRGLUASNILEALALYS
3   METILEGLNLYSGLNLEUGLYLYSASPVAL
4   ALAASPVALHISASPILEALALYSSERSER
5   LYSGLUASPLEUGLUALATYRASPILELEU
6   LEULEUGLYILEPROTHRTRPTYRTYRGLY
7   GLUALAGLNCYSASPTRPASPASPPHEPHE
8   PROTHRLEUGLUGLUILEASPPHEASNGLY
9   LYSLEUVALALALEUPHEGLYCYSGLYASP
10   GLNGLUASPTYRALAGLUTYRPHECYSASP
11   ALALEUGLYTHRILEARGASPILEILEGLU
12   PROARGGLYALATHRILEVALGLYHISTRP
13   PROTHRALAGLYTYRHISPHEGLUALASER
14   LYSGLYLEUALAASPASPASPHISPHEVAL
15   GLYLEUALAILEASPGLUASPARGGLNPRO
16   GLULEUTHRALAGLUARGVALGLULYSTRP
17   VALLYSGLNILESERGLUGLULEUHISLEU
18   ASPGLUILELEUASNALA

Entity 2, FLAVIN MONONUCLEOTIDE - C17 H21 N4 O9 P - 456.344 Da.

1   FMN

Samples:

sample_1: Protein, [U-100% 15N], 1 mM; sodium phosphate 30 mM; DTT 40 mM; D2O 10%; H2O 90%

sample_2: Protein, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 30 mM; DTT 40 mM; D2O 10%; H2O 90%

sample_conditions_1: ionic strength: 180 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HCCH-COSYsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

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

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

BMRB 25015
PDB
DBJ BAA35333 BAB34138 BAG76270 BAI24076 BAI29544
EMBL CAD05157 CAP75173 CAQ31149 CAQ89923 CAQ97531
GB AAA23789 AAC73778 AAG55007 AAL19638 AAN79244
PIR AC0586
REF NP_308742 NP_415210 NP_455255 NP_459679 WP_000321745
SP P61949 P61950 P61951 Q8ZQX1

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