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 15281

Title: Solution NMR structure of CC0527 from Caulobacter crescentus. Northeast Structural Genomics target CcR55.

Authors: Aramini, James; Rossi, Paolo; Moseley, Hunter; Wang, Dongyan; Nwosu, Chioma; Cunningham, Kellie; Ma, Li-Chung; Xiao, Rong; Liu, Jinfeng; Baran, Micheal; Swapna, Gurla; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano

Citation: Aramini, James; Rossi, Paolo; Moseley, Hunter; Wang, Dongyan; Nwosu, Chioma; Cunningham, Kellie; Ma, Li-Chung; Xiao, Rong; Liu, Jinfeng; Baran, Micheal; Swapna, Gurla; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano. "Solution NMR structure of CC0527 from Caulobacter crescentus. Northeast Structural Genomics target CcR55."  Not known ., .-..

Assembly members:
CcR55, polymer, 122 residues, 13533.255 Da.

Natural source:   Common Name: Caulobacter crescentus   Taxonomy ID: 155892   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Caulobacter crescentus

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

Entity Sequences (FASTA):
CcR55: MTLIYKILSRAEWDAAKAQG RFEGSAVDLADGFIHLSAGE QAQETAAKWFRGQANLVLLA VEAEPLGEDLKWEASRGGAR FPHLYRPLLVSEVTREADLD LDADGVPQLGDHLALEHHHH HH

Data sets:
Data typeCount
13C chemical shifts510
15N chemical shifts122
1H chemical shifts805

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CcR551

Entities:

Entity 1, CcR55 122 residues - 13533.255 Da.

Residues 115-122 represent a non-native affinity purification tag (LEHHHHHH)

1   METTHRLEUILETYRLYSILELEUSERARG
2   ALAGLUTRPASPALAALALYSALAGLNGLY
3   ARGPHEGLUGLYSERALAVALASPLEUALA
4   ASPGLYPHEILEHISLEUSERALAGLYGLU
5   GLNALAGLNGLUTHRALAALALYSTRPPHE
6   ARGGLYGLNALAASNLEUVALLEULEUALA
7   VALGLUALAGLUPROLEUGLYGLUASPLEU
8   LYSTRPGLUALASERARGGLYGLYALAARG
9   PHEPROHISLEUTYRARGPROLEULEUVAL
10   SERGLUVALTHRARGGLUALAASPLEUASP
11   LEUASPALAASPGLYVALPROGLNLEUGLY
12   ASPHISLEUALALEUGLUHISHISHISHIS
13   HISHIS

Samples:

sample_1: CcR55, [U-100% 13C; U-100% 15N], 0.98 mM; MES 20 mM; NaCl 100 mM; CaCl2 5 mM; DTT 10 mM; NaN3 0.02%

sample_2: CcR55, [U-100% 13C; U-100% 15N], 0.98 mM; MES 20 mM; NaCl 100 mM; CaCl2 5 mM; DTT 10 mM; NaN3 0.02%

sample_3: CcR55, [U-5% 13C; U-100% 15N], 0.58 mM; MES 20 mM; NaCl 100 mM; CaCl2 5 mM; DTT 10 mM; NaN3 0.02%

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC (aliph)sample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY (aliph)sample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_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 GFT HNNCACBCAsample_1isotropicsample_conditions_1
3D GFT CACB(CO)NHNsample_1isotropicsample_conditions_1
3D GFT HAHBCACB(CO)NHNsample_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-13C HSQC high res.sample_3isotropicsample_conditions_1
2D 1H-13C HSQC (arom)sample_1isotropicsample_conditions_1

Software:

TOPSPIN v1.3, Bruker Biospin - collection

AutoAssign v2.2.1, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

SPARKY v3.110, Goddard - data analysis, peak picking

AutoStruct v2.1.1, Huang, Tejero, Powers and Montelione - structure solution

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

X-PLOR NIH v2.11.2, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

PSVS v1.3, Bhattacharya and Montelione - data analysis

PDBStat v5.0, Tejero and Montelione - PDB analysis

VNMR v6.1C, Varian - collection

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

PDB
GB AAK22514 ACL94026
REF NP_419346 WP_010918415 YP_002515934