Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34018
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Kristiansen, P.; Persson, C.; Fuochi, V.; Pedersen, A.; Karlsson, G.; Nissen-Meyer, J.; Oppegard, C.. "Nuclear Magnetic Resonance Structure and Mutational Analysis of the Lactococcin A Immunity Protein." Biochemistry 55, 6250-6257 (2016).
PubMed: 27808503
Assembly members:
entity_1, polymer, 117 residues, 13273.202 Da.
Natural source: Common Name: Lactococcus lactis Taxonomy ID: 1360 Superkingdom: Bacteria Kingdom: not available Genus/species: Lactococcus lactis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: MSGSHHHHHHSSGIEGRGRM
KKKQIEFENELRSMLATALE
KDISQEERNALNIAEKALDN
SEYLPKIILNLRKALTPLAI
NRTLNHDLSELYKFITSSKA
SNKNLGGGLIMSWGRLF
| Data type | Count |
| 13C chemical shifts | 394 |
| 15N chemical shifts | 98 |
| 1H chemical shifts | 590 |
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entity 1, entity_1 117 residues - 13273.202 Da.
| 1 | MET | SER | GLY | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | SER | SER | GLY | ILE | GLU | GLY | ARG | GLY | ARG | MET | ||||
| 3 | LYS | LYS | LYS | GLN | ILE | GLU | PHE | GLU | ASN | GLU | ||||
| 4 | LEU | ARG | SER | MET | LEU | ALA | THR | ALA | LEU | GLU | ||||
| 5 | LYS | ASP | ILE | SER | GLN | GLU | GLU | ARG | ASN | ALA | ||||
| 6 | LEU | ASN | ILE | ALA | GLU | LYS | ALA | LEU | ASP | ASN | ||||
| 7 | SER | GLU | TYR | LEU | PRO | LYS | ILE | ILE | LEU | ASN | ||||
| 8 | LEU | ARG | LYS | ALA | LEU | THR | PRO | LEU | ALA | ILE | ||||
| 9 | ASN | ARG | THR | LEU | ASN | HIS | ASP | LEU | SER | GLU | ||||
| 10 | LEU | TYR | LYS | PHE | ILE | THR | SER | SER | LYS | ALA | ||||
| 11 | SER | ASN | LYS | ASN | LEU | GLY | GLY | GLY | LEU | ILE | ||||
| 12 | MET | SER | TRP | GLY | ARG | LEU | PHE |
sample_1: lactococcin A immunity protein, [U-100% 13C; U-100% 15N], 0.5 mM
sample_conditions_1: ionic strength: 0.4 M; pH: 7.0; pressure: 1 atm; temperature: 298 K
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(COCA)CB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
Analysis, CCPN - chemical shift assignment
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks