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Biological Magnetic Resonance Data Bank


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BMRB Entry 16037

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16037
MolProbity Validation Chart

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Title: BlrP1 BLUF   PubMed: 19191473

Deposition date: 2008-11-19 Original release date: 2009-03-31

Authors: Wu, Qiong; Gardner, Kevin

Citation: Wu, Qiong; Gardner, Kevin. "Structure and Insight into Blue Light-Induced Changes in the BlrP1 BLUF Domain"  Biochemistry 48, 2620-2629 (2009).

Assembly members:
BlrP1_BLUF, polymer, 148 residues, 16924.424 Da.
FMN, non-polymer, 456.344 Da.

Natural source:   Common Name: Klebsiella pneumoniae   Taxonomy ID: 573   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Klebsiella pneumoniae

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

Entity Sequences (FASTA):
BlrP1_BLUF: GEFMLTTLIYRSQVHPDRPP VDLDALVHRASSKNLPLGIT GILLFNGLQFFQVLEGTEEA LESLFSEIQSDPRHRDVVEL MRDYSAYRRFHGTGMRILDL RLFETDGALEEILRFSTFGV TEPVNDRMFRLLSAFIADGG RYCLPEPL

Data sets:
Data typeCount
13C chemical shifts677
15N chemical shifts154
1H chemical shifts1083

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1BlrP1_BLUF1
2FLAVIN MONONUCLEOTIDE2

Entities:

Entity 1, BlrP1_BLUF 148 residues - 16924.424 Da.

1   GLYGLUPHEMETLEUTHRTHRLEUILETYR
2   ARGSERGLNVALHISPROASPARGPROPRO
3   VALASPLEUASPALALEUVALHISARGALA
4   SERSERLYSASNLEUPROLEUGLYILETHR
5   GLYILELEULEUPHEASNGLYLEUGLNPHE
6   PHEGLNVALLEUGLUGLYTHRGLUGLUALA
7   LEUGLUSERLEUPHESERGLUILEGLNSER
8   ASPPROARGHISARGASPVALVALGLULEU
9   METARGASPTYRSERALATYRARGARGPHE
10   HISGLYTHRGLYMETARGILELEUASPLEU
11   ARGLEUPHEGLUTHRASPGLYALALEUGLU
12   GLUILELEUARGPHESERTHRPHEGLYVAL
13   THRGLUPROVALASNASPARGMETPHEARG
14   LEULEUSERALAPHEILEALAASPGLYGLY
15   ARGTYRCYSLEUPROGLUPROLEU

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

1   FMN

Samples:

sample_1: BlrP1 BLUF, [U-99% 13C; U-99% 15N], 0.1-0.7 mM; FLAVIN MONONUCLEOTIDE, [U-99% 13C; U-99% 15N], 0.2-0.7 mM; Tris 50 mM; NaCl 30 mM

sample_conditions_1: ionic strength: 30 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

ARIA v2.1, Linge, O, . - chemical shift assignment

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

VNMR, Varian - collection

NMRView, Johnson, One Moon Scientific - data analysis

NMR spectrometers:

  • Varian INOVA 800 MHz
  • Varian INOVA 600 MHz
  • Varian INOVA 500 MHz

Related Database Links:

PDB
DBJ BAH63290
EMBL CCI76711 CCM80630 CCM86960 CCM95184 CCN29648
GB ABR77029 AEJ98065 AEW61211 AFQ65938 AGT24399
REF WP_002903812 WP_004143607 WP_004892184 WP_020802923 WP_021314208

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