BMRB Entry 15542
Click here to enlarge.
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/BMR15542
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: SOLUTION NMR STRUCTURE OF UNCHARACTERIZED LIPOPROTEIN yajI FROM Escherichia coli: NORTHEAST STRUCTURAL GENOMICS TARGET ER540
Deposition date: 2007-10-31 Original release date: 2007-11-09
Authors: Liu, Gaohua; Xiao, Rong; Chen, Chen; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano
Citation: Liu, Gaohua; Xiao, Rong; Swapna, G.V.T; Acton, Thomas; Montelione, Gaetano. "SOLUTION NMR STRUCTURE OF UNCHARACTERIZED LIPOPROTEIN yajI FROM Escherichia coli" . ., .-..
Assembly members:
Lipoprotein_yajI, polymer, 168 residues, 18603.127 Da.
Natural source: Common Name: not available Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Lipoprotein_yajI: MVQQSEVRQMKHSVSTLNQE
MTQLNQETVKITQQNRLNAK
SSSGVYLLPGAKTPARLESQ
IGTLRMSLVNITPDADGTTL
TLRIQGESNDPLPAFSGTVE
YGQIQGTIDNFQEINVQNQL
INAPASVLAPSDVDIPLQLK
GISVDQLGFVRIHDIQPVMQ
LEHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 535 |
| 15N chemical shifts | 182 |
| 1H chemical shifts | 1169 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 168 residues - 18603.127 Da.
| 1 | MET | VAL | GLN | GLN | SER | GLU | VAL | ARG | GLN | MET | ||||
| 2 | LYS | HIS | SER | VAL | SER | THR | LEU | ASN | GLN | GLU | ||||
| 3 | MET | THR | GLN | LEU | ASN | GLN | GLU | THR | VAL | LYS | ||||
| 4 | ILE | THR | GLN | GLN | ASN | ARG | LEU | ASN | ALA | LYS | ||||
| 5 | SER | SER | SER | GLY | VAL | TYR | LEU | LEU | PRO | GLY | ||||
| 6 | ALA | LYS | THR | PRO | ALA | ARG | LEU | GLU | SER | GLN | ||||
| 7 | ILE | GLY | THR | LEU | ARG | MET | SER | LEU | VAL | ASN | ||||
| 8 | ILE | THR | PRO | ASP | ALA | ASP | GLY | THR | THR | LEU | ||||
| 9 | THR | LEU | ARG | ILE | GLN | GLY | GLU | SER | ASN | ASP | ||||
| 10 | PRO | LEU | PRO | ALA | PHE | SER | GLY | THR | VAL | GLU | ||||
| 11 | TYR | GLY | GLN | ILE | GLN | GLY | THR | ILE | ASP | ASN | ||||
| 12 | PHE | GLN | GLU | ILE | ASN | VAL | GLN | ASN | GLN | LEU | ||||
| 13 | ILE | ASN | ALA | PRO | ALA | SER | VAL | LEU | ALA | PRO | ||||
| 14 | SER | ASP | VAL | ASP | ILE | PRO | LEU | GLN | LEU | LYS | ||||
| 15 | GLY | ILE | SER | VAL | ASP | GLN | LEU | GLY | PHE | VAL | ||||
| 16 | ARG | ILE | HIS | ASP | ILE | GLN | PRO | VAL | MET | GLN | ||||
| 17 | LEU | GLU | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: Lipoprotein yajI, [U-100% 13C; U-100% 15N], 1.77 mM
sample_2: Lipoprotein yajI, [U-10% 13C; U-99% 15N], 0.77 mM
sample_conditions_1: ionic strength: 0 M; pH: 5.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D SIMULTANEOUS CN-NOESY, | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 4,3D GFT CABCACONHN | sample_1 | isotropic | sample_conditions_1 |
| 4,3D GFT HNNCABCA | sample_1 | isotropic | sample_conditions_1 |
| 4,3D GFT HCCH | sample_1 | isotropic | sample_conditions_1 |
| 4,3D GFT HABCABCONHN | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
Software:
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
AutoStruct v2.1.1, Huang, Tejero, Powers and Montelione - data analysis
XEASY v1.3.1, Bartels et al. - data analysis
NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
TOPSPIN v1.3, Bruker Biospin - collection
VNMR, Varian - collection
AutoAssign v2.4.0, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment
NMR spectrometers:
- Bruker Avance 800 MHz
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAB33888 BAE76192 BAG75958 BAI23783 BAI29254 |
| EMBL | CAP74946 CAQ30881 CAQ97284 CAR01755 CAR06645 |
| GB | AAA74983 AAB40168 AAC73515 AAG54761 AAN42007 |
| REF | NP_308492 NP_414946 NP_706300 WP_000308223 WP_000374632 |
| SP | P46122 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts