BMRB Entry 25153

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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/BMR25153
MolProbity Validation Chart

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Title:
holo_FldB
Deposition date:
2014-08-15
Original release date:
2016-03-07
Authors:
Jin, Changwen; Fu, Wenyu; Ye, Qian
Citation:

Citation: Ye, Qian; Fu, Wenyu; Hu, Yunfei; Jin, Changwen. "Long-chain flavodoxin FldB from Escherichia coli"  J. Biomol. NMR. 60, 283-288 (2014).
PubMed: 25380767

Assembly members:

Assembly members:
entity_1, polymer, 173 residues, 19713.229 Da.
entity_FMN, non-polymer, 456.344 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: PET-21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MNMGLFYGSSTCYTEMAAEK IRDIIGPELVTLHNLKDDSP KLMEQYDVLILGIPTWDFGE IQEDWEAVWDQLDDLNLEGK IVALYGLGDQLGYGEWFLDA LGMLHDKLSTKGVKFVGYWP TEGYEFTSPKPVIADGQLFV GLALDETNQYDLSDERIQSW CEQILNEMAEHYA

Data sets:
Data typeCount
13C chemical shifts750
15N chemical shifts185
1H chemical shifts1159

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2FLAVIN MONONUCLEOTIDE2

Entities:

Entity 1, entity_1 173 residues - 19713.229 Da.

1   METASNMETGLYLEUPHETYRGLYSERSER
2   THRCYSTYRTHRGLUMETALAALAGLULYS
3   ILEARGASPILEILEGLYPROGLULEUVAL
4   THRLEUHISASNLEULYSASPASPSERPRO
5   LYSLEUMETGLUGLNTYRASPVALLEUILE
6   LEUGLYILEPROTHRTRPASPPHEGLYGLU
7   ILEGLNGLUASPTRPGLUALAVALTRPASP
8   GLNLEUASPASPLEUASNLEUGLUGLYLYS
9   ILEVALALALEUTYRGLYLEUGLYASPGLN
10   LEUGLYTYRGLYGLUTRPPHELEUASPALA
11   LEUGLYMETLEUHISASPLYSLEUSERTHR
12   LYSGLYVALLYSPHEVALGLYTYRTRPPRO
13   THRGLUGLYTYRGLUPHETHRSERPROLYS
14   PROVALILEALAASPGLYGLNLEUPHEVAL
15   GLYLEUALALEUASPGLUTHRASNGLNTYR
16   ASPLEUSERASPGLUARGILEGLNSERTRP
17   CYSGLUGLNILELEUASNGLUMETALAGLU
18   HISTYRALA

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

1   FMN

Samples:

sample_1: entity_1, [U-15N], 1 mM; sodium phosphate 30 mM; FLAVIN MONONUCLEOTIDE 2 mM

sample_2: entity_1, [U-13C; U-15N], 1 mM; sodium phosphate 30 mM; FLAVIN MONONUCLEOTIDE 2 mM

sample_conditions_1: 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 HNCOsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_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

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