BMRB Entry 16083
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16083
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Title: Northeast Structural Genomics Consortium (NESG), target MrR121A
Deposition date: 2008-12-22 Original release date: 2009-01-13
Authors: Barb, Adam; Lee, Hsiau Wei; Wang, Xu; Magliqui, Melissa; Jiang, Mei; Ciccosanti, Colleen; Xiao, Rong; Lui, Jinfeng; Everett, John; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Prestegard, James
Citation: Barb, Adam. "Northeast Structural Genomics Target MrR121A" .
Assembly members:
MrR121a, polymer, 112 residues, 40685.895 Da.
Natural source: Common Name: Methanococcus maripaludis Taxonomy ID: 39152 Superkingdom: Archaea Kingdom: not available Genus/species: Methanococcus maripaludis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
MrR121a: MVDQNPEEYYLEGVLQYDAG
NYTESIDLFEKAIQLDPEES
KYWLMKGKALYNLERYEEAV
DCYNYVINVIEDEYNKDVWA
AKADALRYIEGKEVEAEIAE
ARAKLEHHHHHH
- assigned_chemical_shifts
- RDCs
| Data type | Count |
| 13C chemical shifts | 370 |
| 15N chemical shifts | 100 |
| 1H chemical shifts | 578 |
| residual dipolar couplings | 144 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MrR121a | 1 |
Entities:
Entity 1, MrR121a 112 residues - 40685.895 Da.
| 1 | MET | VAL | ASP | GLN | ASN | PRO | GLU | GLU | TYR | TYR | ||||
| 2 | LEU | GLU | GLY | VAL | LEU | GLN | TYR | ASP | ALA | GLY | ||||
| 3 | ASN | TYR | THR | GLU | SER | ILE | ASP | LEU | PHE | GLU | ||||
| 4 | LYS | ALA | ILE | GLN | LEU | ASP | PRO | GLU | GLU | SER | ||||
| 5 | LYS | TYR | TRP | LEU | MET | LYS | GLY | LYS | ALA | LEU | ||||
| 6 | TYR | ASN | LEU | GLU | ARG | TYR | GLU | GLU | ALA | VAL | ||||
| 7 | ASP | CYS | TYR | ASN | TYR | VAL | ILE | ASN | VAL | ILE | ||||
| 8 | GLU | ASP | GLU | TYR | ASN | LYS | ASP | VAL | TRP | ALA | ||||
| 9 | ALA | LYS | ALA | ASP | ALA | LEU | ARG | TYR | ILE | GLU | ||||
| 10 | GLY | LYS | GLU | VAL | GLU | ALA | GLU | ILE | ALA | GLU | ||||
| 11 | ALA | ARG | ALA | LYS | LEU | GLU | HIS | HIS | HIS | HIS | ||||
| 12 | HIS | HIS |
Samples:
sample_1: MrR121a, [U-100% 13C; U-100% 15N], 1 mM; NaN3 0.02%; DTT 100 mM; CaCl2 5 mM; NaCl 200 mM; MES 20 mM
sample_2: MrR121a, [U-100% 13C; U-100% 15N], 1 mM; NaN3 0.02%; DTT 100 mM; CaCl2 5 mM; NaCl 200 mM; MES 20 mM; Phage 2.92 mg / mL
sample_3: MrR121a, [U-100% 13C; U-100% 15N], 1 mM; NaN3 0.02%; DTT 100 mM; CaCl2 5 mM; NaCl 200 mM; MES 20 mM; PEG 4.11%
sample_conditions_1: ionic strength: 200 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K
sample_conditions2: pH: 6.5; temperature: 298 K
sample_conditions3: pH: 6.5; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_2 | anisotropic | sample_conditions2 |
| 2D 1H-15N HSQC | sample_3 | anisotropic | sample_conditions3 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis
VNMRJ, Varian - collection
CYANA, Guntert, Mumenthaler and Wuthrich - data analysis
X-PLOR, Brunger - refinement
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
| PDB |
Download simulated HSQC data in one of the following formats:
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