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 25061

Title: Solution NMR Structure of De novo designed Protein, Northeast Structural Genomics Consortium (NESG) Target OR457

Authors: Pulavarti, Surya VSRK; Nivon, Lucas; Maglaqui, Melissa; Janjua, Haleema; Mao, Lei; Xiao, Rong; Kornhaber, Gregory; Baker, David; Montelione, Gaetano; Szyperski, Thomas

Citation: Pulavarti, Surya VSRK; Nivon, Lucas; Maglaqui, Melissa; Janjua, Haleema; Mao, Lei; Xiao, Rong; Kornhaber, Gregory; Baker, David; Montelione, Gaetano; Szyperski, Thomas. "Solution NMR Structure of De novo designed Protein, Northeast Structural Genomics Consortium (NESG) Target OR457"  To be published ., .-..

Assembly members:
OR457, polymer, 136 residues, 15904.374 Da.

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

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

Entity Sequences (FASTA):
OR457: MGTVVIVVSNDERILEELLE VVLKSDPNVKTVRTDDKEKV KEEIEKARKQGRPIVIFIRG AYEEVVRDIVEYAQKEGLRV LVIKVAQDQELLERFYEQLK KDGVDVRVTDNEDEAKKRLK ELLEKVGSLEHHHHHH

Data sets:
Data typeCount
1H chemical shifts958
13C chemical shifts583
15N chemical shifts120

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1OR4571

Entities:

Entity 1, OR457 136 residues - 15904.374 Da.

1   METGLYTHRVALVALILEVALVALSERASN
2   ASPGLUARGILELEUGLUGLULEULEUGLU
3   VALVALLEULYSSERASPPROASNVALLYS
4   THRVALARGTHRASPASPLYSGLULYSVAL
5   LYSGLUGLUILEGLULYSALAARGLYSGLN
6   GLYARGPROILEVALILEPHEILEARGGLY
7   ALATYRGLUGLUVALVALARGASPILEVAL
8   GLUTYRALAGLNLYSGLUGLYLEUARGVAL
9   LEUVALILELYSVALALAGLNASPGLNGLU
10   LEULEUGLUARGPHETYRGLUGLNLEULYS
11   LYSASPGLYVALASPVALARGVALTHRASP
12   ASNGLUASPGLUALALYSLYSARGLEULYS
13   GLULEULEUGLULYSVALGLYSERLEUGLU
14   HISHISHISHISHISHIS

Samples:

sample_1: OR457.004, [U-13C,15N], 0.85 mM; H2O 90%; D2O 10%

sample_2: OR457.003, [5% 13C; U-15N], 0.8 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HN(CA)COsample_2isotropicsample_conditions_1
3D HCCH-COSYsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
GFT-4,3d HCCH-COSYsample_2isotropicsample_conditions_1
3D HCCH-COSY aromaticsample_2isotropicsample_conditions_1
3D simultaneous (13C-Aliphatic, aromatic &15-N) NOESYsample_2isotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinemen,structure solution,geometry optimization

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

AutoStructure v2.1, Huang, Tejero, Powers and Montelione - data analysis,refinement

AutoAssign v2.1, Zimmerman, Moseley, Kulikowski and Montelione - data analysis,chemical shift assignment

XEASY, Bartels et al. - data analysis,peak picking,chemical shift assignment

VNMRJ, Varian - collection

TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization

PROSA, Peter Guntert - processing

PSVS, Bhattacharya, Montelione - structure validation

CARA, Rochus Keller - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 750 MHz

Related Database Links:

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