BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 16385

Title: Solution NMR structure of the CARDB domain of PF1109 from Pyrococcus furiosus. Northeast Structural Genomics Consortium target PfR193A

Authors: Aramini, James; Lee, Dong-Yup; Ciccosanti, Colleen; Hamilton, Keith; Nair, Rajesh; Rost, Burkhard; Acton, Thomas; Xiao, Rong; Swapna, Gurla; Everett, John; Montelione, Gaetano

Citation: Aramini, James; Lee, Dong-Yup; Ciccosanti, Colleen; Hamilton, Keith; Nair, Rajesh; Rost, Burkhard; Acton, Thomas; Xiao, Rong; Swapna, Gurla; Everett, John; Montelione, Gaetano. "Solution NMR structure of the CARDB domain of PF1109 from Pyrococcus furiosus."  Not known ., .-..

Assembly members:
CARDB domain, polymer, 114 residues, 12868.545 Da.

Natural source:   Common Name: Pyrococcus furiosus   Taxonomy ID: 2261   Superkingdom: Archaea   Kingdom: not available   Genus/species: Pyrococcus furiosus

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

Entity Sequences (FASTA):
CARDB domain: MEFPDLTVEIKGPDVVGVNK LAEYEVHVKNLGGIGVPSTK VRVYINGTLYKNWTVSLGPK EEKVLTFSWTPTQEGMYRIN ATVDEENTVVELNENNNVAT FDVSVVLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts498
15N chemical shifts114
1H chemical shifts788

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CARDB domain1

Entities:

Entity 1, CARDB domain 114 residues - 12868.545 Da.

Contains additional N-terminal Met and C-terminal LEHHHHHH affinity tag due to cloning.

1   METGLUPHEPROASPLEUTHRVALGLUILE
2   LYSGLYPROASPVALVALGLYVALASNLYS
3   LEUALAGLUTYRGLUVALHISVALLYSASN
4   LEUGLYGLYILEGLYVALPROSERTHRLYS
5   VALARGVALTYRILEASNGLYTHRLEUTYR
6   LYSASNTRPTHRVALSERLEUGLYPROLYS
7   GLUGLULYSVALLEUTHRPHESERTRPTHR
8   PROTHRGLNGLUGLYMETTYRARGILEASN
9   ALATHRVALASPGLUGLUASNTHRVALVAL
10   GLULEUASNGLUASNASNASNVALALATHR
11   PHEASPVALSERVALVALLEUGLUHISHIS
12   HISHISHISHIS

Samples:

sample_1: PfR193A, [U-100% 13C; U-100% 15N], 0.65 mM; MES 20 mM; sodium chloride 200 mM; calcium chloride 5 mM; DTT 10 mM; sodium azide 0.02%; DSS 50 uM; D2O 10%; H2O 90%

sample_2: PfR193A, [U-5% 13C; U-100% 15N], 0.43 mM; MES 20 mM; sodium chloride 200 mM; calcium chloride 5 mM; DTT 10 mM; sodium azide 0.02%; DSS 50 uM; D2O 10%; H2O 90%

sample_conditions_1: ionic strength: 0.2 M; pH: 6.5; 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 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC high resolution (L/V methyl stereoassignment)sample_2isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
2D 1H-15N hetNOEsample_1isotropicsample_conditions_1
1D 15N T1 and T2sample_1isotropicsample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, data analysis

NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY v3.112, Goddard - data analysis, peak picking

PINE v1.0, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

AutoStruct v2.2.1, Huang, Tejero, Powers and Montelione - RPF analysis

PSVS v1.3, Bhattacharya and Montelione - structure quality analysis

MolProbity v3.15, Richardson - structure quality analysis

PDBStat v5.1, Tejero and Montelione - PDB coordinate analysis

TALOS vplus, Cornilescu, Delaglio and Bax - dihedral angle constraints

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 600 MHz

Related Database Links:

PDB
GB AAL81233 AFN03901
REF WP_014835329