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 15317

Title: NMR Solution Structure of Colwellia psychrerythraea protein CPS_2611. Northeast Structural Genomics target CsR4.

Authors: Ramelot, Theresa; Cort, John; Wang, Huang; Nwosu, Chioma; Cunningham, Kellie; Owens, Leah; Ma, Li-Chung; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T.; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Kennedy, Michael

Citation: Ramelot, Theresa; Cort, John; Montelione, Gaetano; Kennedy, Michael. "Solution NMR structure of Colwellia psychrerythraea protein CPS_2611. Northeast Structural Genomics target CsR4."  Not known ., .-..

Assembly members:
protein, polymer, 76 residues, 17170 Da.

Natural source:   Common Name: not available   Taxonomy ID: 28229   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Colwellia psychrerythraea

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

Entity Sequences (FASTA):
protein: MPIVSKYSNERVEKIIQDLL DVLVKEEVTPDLALMCLGNA VTNIIAQVPESKRVAVVDNF TKALKQSVLEHHHHHH

Data typeCount
13C chemical shifts336
15N chemical shifts80
1H chemical shifts556

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1subunit 11
2subunit 21

Entities:

Entity 1, subunit 1 76 residues - 17170 Da.

8 non-native residues C-terminal His tag (LEHHHHHH)

1   METPROILEVALSERLYSTYRSERASNGLU
2   ARGVALGLULYSILEILEGLNASPLEULEU
3   ASPVALLEUVALLYSGLUGLUVALTHRPRO
4   ASPLEUALALEUMETCYSLEUGLYASNALA
5   VALTHRASNILEILEALAGLNVALPROGLU
6   SERLYSARGVALALAVALVALASPASNPHE
7   THRLYSALALEULYSGLNSERVALLEUGLU
8   HISHISHISHISHISHIS

Samples:

NC_sample: protein, [U-13C; U-15N], 1 ± 0.1 mM; sodium chloride 100 ± 5 mM; ammonium acetate 20 ± 1 mM; DTT 5 ± 0.25 mM; sodium azide 0.02 ± 0.001 %; calcium chloride 5 ± 0.25 mM

NC5_sample: protein, [U-5% 13C; U-100% 15N], 1.1 ± 0.1 mM; sodium chloride 100 ± 5 mM; calcium chloride 5 ± 0.25 mM; ammonium acetate 20 ± 1 mM; DTT 5 ± 0.25 mM; sodium azide 0.02 ± 0.001 %

NC_in_D2O: protein, [U-13C; U-15N], 1.0 ± 0.1 mM; sodium chloride 100 ± 5 mM; calcium chloride 5 ± 0.25 mM; ammonium acetate 20 ± 1 mM; DTT 5 ± 0.25 mM; sodium azide 0.02 ± 0.001 %

NC50_sample_in_D2O: protein, [U-13C; U-15N], 0.5 ± 0.05 mM; sodium chloride 100 ± 5 mM; calcium chloride 5 ± 0.25 mM; ammonium acetate 20 ± 1 mM; DTT 5 ± 0.25 mM; sodium azide 0.02 ± 0.001 %; protein 0.5 ± 0.05 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 5.5; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCNC_sampleisotropicsample_conditions_1
2D 1H-13C HSQC (aliph)NC_sampleisotropicsample_conditions_1
3D 1H-15N NOESYNC_sampleisotropicsample_conditions_1
3D 1H-13C NOESY aliphNC_sampleisotropicsample_conditions_1
3D HNCACBNC_sampleisotropicsample_conditions_1
2D 1H-13C HSQCNC5_sampleisotropicsample_conditions_1
4D 1H-13C NOESYNC_in_D2Oisotropicsample_conditions_1
3D HBHA(CO)NHNC_sampleisotropicsample_conditions_1
3D HNHANC_sampleisotropicsample_conditions_1
3D CBCA(CO)NHNC_sampleisotropicsample_conditions_1
3D HNCANC_sampleisotropicsample_conditions_1
3D HN(CO)CANC_sampleisotropicsample_conditions_1
3D HNCONC_sampleisotropicsample_conditions_1
3D C(CO)NHNC_sampleisotropicsample_conditions_1
3D HCCH-COSYNC_sampleisotropicsample_conditions_1
3D HCCH-TOCSYNC_sampleisotropicsample_conditions_1
2D 1H-13C HSQCNC_in_D2Oisotropicsample_conditions_1
2D 1H-15N HSQC (15 min)NC_in_D2Oisotropicsample_conditions_1
3D edited filtered 1H-13C NOESYNC50_sample_in_D2Oisotropicsample_conditions_1
3D 1H-13C NOESY aromNC_sampleisotropicsample_conditions_1
2D 1H-13C HSQC (arom ct)NC_sampleisotropicsample_conditions_1
2D 1H-13C HSQC (arom no ct)NC_sampleisotropicsample_conditions_1
2D 1H-15N HSQC (30 min)NC_in_D2Oisotropicsample_conditions_1
2D 1H-15N HSQC (1 hr)NC_in_D2Oisotropicsample_conditions_1
2D 1H-15N HSQC (6 days)NC_in_D2Oisotropicsample_conditions_1

Software:

NMRPipe vlinux9, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

VNMR v6.1C, Varian - collection

AutoStruct v2.1.1, Huang, Tejero, Powers and Montelione - data analysis

X-PLOR NIH v2.15.0, Schwieters, Kuszewski, Tjandra and Clore - structure solution

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

SPARKY v3.1, Goddard - data analysis

PSVS v1.3, Bhattacharya and Montelione - structure validation

AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

PDB
GB AAZ26870
REF WP_011043419
SP Q481E4