BMRB Entry 36661

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36661
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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Title:
Solution structure of PA2072 CHASE4 monomer.
Deposition date:
2024-04-18
Original release date:
2025-10-05
Authors:
Zhang, Y.; Lin, Z.; Zhang, J.
Citation:

Citation: Zhang, Y.; Lin, Z.; Zhang, J.. "Extracellular protein structure of PA2072."  .

Assembly members:

Assembly members:
Bifunctional diguanylate cyclase/phosphodiesterase, polymer, 208 residues, 22659.102 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: 208964   Superkingdom: Bacteria   Kingdom: Pseudomonadati   Genus/species: Pseudomonas aeruginosa

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Bifunctional diguanylate cyclase/phosphodiesterase: GSARHQDDIAIEQSHFYVEK ALQNRRENSEQFSTTYSFWT DAYVYLGNRVDADWAFTKNN LGSVLYTTNGYDGVFVIDDR GTRYAMLEGELSERSLADSL NADTGDILRSARRAAVDEAA ISRYVDFDGAPAILVASAIK PTSDHAPIDLAKASVMVFVD RLTPAKLAKLGGDYGIANLH LLAGGAAGDKESLALEGTPH RLAWVSSR

Data sets:
Data typeCount
13C chemical shifts647
15N chemical shifts218
1H chemical shifts1380

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 208 residues - 22659.102 Da.

1   GLYSERALAARGHISGLNASPASPILEALA
2   ILEGLUGLNSERHISPHETYRVALGLULYS
3   ALALEUGLNASNARGARGGLUASNSERGLU
4   GLNPHESERTHRTHRTYRSERPHETRPTHR
5   ASPALATYRVALTYRLEUGLYASNARGVAL
6   ASPALAASPTRPALAPHETHRLYSASNASN
7   LEUGLYSERVALLEUTYRTHRTHRASNGLY
8   TYRASPGLYVALPHEVALILEASPASPARG
9   GLYTHRARGTYRALAMETLEUGLUGLYGLU
10   LEUSERGLUARGSERLEUALAASPSERLEU
11   ASNALAASPTHRGLYASPILELEUARGSER
12   ALAARGARGALAALAVALASPGLUALAALA
13   ILESERARGTYRVALASPPHEASPGLYALA
14   PROALAILELEUVALALASERALAILELYS
15   PROTHRSERASPHISALAPROILEASPLEU
16   ALALYSALASERVALMETVALPHEVALASP
17   ARGLEUTHRPROALALYSLEUALALYSLEU
18   GLYGLYASPTYRGLYILEALAASNLEUHIS
19   LEULEUALAGLYGLYALAALAGLYASPLYS
20   GLUSERLEUALALEUGLUGLYTHRPROHIS
21   ARGLEUALATRPVALSERSERARG

Samples:

sample_1: CHASE4, [U-13C; U-15N], 1.0 mM; H2O 95%; D2O, [U-2H], 5%; PIPES 5 mM

sample_conditions_1: ionic strength: 5 mM; pH: 7.2; pressure: 1 Pa; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D CCH TOCSYsample_1isotropicsample_conditions_1
4D 13C,15N-edited NOESYsample_1isotropicsample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - data analysis

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

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

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

NMR spectrometers:

  • Bruker AVANCE 700 MHz
  • Bruker AVANCE 800 MHz
  • Bruker AVANCE 600 MHz
  • Bruker AVANCE 850 MHz

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