BMRB Entry 51224
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51224
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Title: 1H15N HSQC chemical shifts and Relaxation Parameters for Y99C MIF Mixed Trimers PubMed: 35252348
Deposition date: 2021-12-07 Original release date: 2022-03-09
Authors: Skeens, Erin; Lisi, George
Citation: Skeens, Erin; Pantouris, Georgios; Shah, Dilip; Manjula, Ramu; Ombrello, Michael; Maluf, N.; Bhandari, Vineet; Lisi, George; Lolis, Elias. "A Cysteine Variant at an Allosteric Site Alters MIF Dynamics and Biological Function in Homo- and Heterotrimeric Assemblies" Front. Mol. Biosci. 9, 783669-783669 (2022).
Assembly members:
entity_1, polymer, 114 residues, Formula weight is not available
entity_2, polymer, 114 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET24a
Entity Sequences (FASTA):
entity_1: PMFIVNTNVPRASVPDGFLS
ELTQQLAQATGKPPQYIAVH
VVPDQLMAFGGSSEPCALCS
LHSIGKIGGAQNRSYSKLLC
GLLAERLRISPDRVYINYCD
MNAANVGWNNSTFA
entity_2: PMFIVNTNVPRASVPDGFLS
ELTQQLAQATGKPPQYIAVH
VVPDQLMAFGGSSEPCALCS
LHSIGKIGGAQNRSYSKLLC
GLLAERLRISPDRVYINYYD
MNAANVGWNNSTFA
- assigned_chemical_shifts
- heteronucl_NOEs
- heteronucl_T1_relaxation
- heteronucl_T2_relaxation
| Data type | Count |
| 15N chemical shifts | 95 |
| 1H chemical shifts | 95 |
| T1 relaxation values | 81 |
| T2 relaxation values | 84 |
| heteronuclear NOE values | 78 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Y99C MIF monomer | 1 |
| 2 | WT MIF monomer | 2 |
Entities:
Entity 1, Y99C MIF monomer 114 residues - Formula weight is not available
| 1 | PRO | MET | PHE | ILE | VAL | ASN | THR | ASN | VAL | PRO | ||||
| 2 | ARG | ALA | SER | VAL | PRO | ASP | GLY | PHE | LEU | SER | ||||
| 3 | GLU | LEU | THR | GLN | GLN | LEU | ALA | GLN | ALA | THR | ||||
| 4 | GLY | LYS | PRO | PRO | GLN | TYR | ILE | ALA | VAL | HIS | ||||
| 5 | VAL | VAL | PRO | ASP | GLN | LEU | MET | ALA | PHE | GLY | ||||
| 6 | GLY | SER | SER | GLU | PRO | CYS | ALA | LEU | CYS | SER | ||||
| 7 | LEU | HIS | SER | ILE | GLY | LYS | ILE | GLY | GLY | ALA | ||||
| 8 | GLN | ASN | ARG | SER | TYR | SER | LYS | LEU | LEU | CYS | ||||
| 9 | GLY | LEU | LEU | ALA | GLU | ARG | LEU | ARG | ILE | SER | ||||
| 10 | PRO | ASP | ARG | VAL | TYR | ILE | ASN | TYR | CYS | ASP | ||||
| 11 | MET | ASN | ALA | ALA | ASN | VAL | GLY | TRP | ASN | ASN | ||||
| 12 | SER | THR | PHE | ALA |
Entity 2, WT MIF monomer 114 residues - Formula weight is not available
| 1 | PRO | MET | PHE | ILE | VAL | ASN | THR | ASN | VAL | PRO | ||||
| 2 | ARG | ALA | SER | VAL | PRO | ASP | GLY | PHE | LEU | SER | ||||
| 3 | GLU | LEU | THR | GLN | GLN | LEU | ALA | GLN | ALA | THR | ||||
| 4 | GLY | LYS | PRO | PRO | GLN | TYR | ILE | ALA | VAL | HIS | ||||
| 5 | VAL | VAL | PRO | ASP | GLN | LEU | MET | ALA | PHE | GLY | ||||
| 6 | GLY | SER | SER | GLU | PRO | CYS | ALA | LEU | CYS | SER | ||||
| 7 | LEU | HIS | SER | ILE | GLY | LYS | ILE | GLY | GLY | ALA | ||||
| 8 | GLN | ASN | ARG | SER | TYR | SER | LYS | LEU | LEU | CYS | ||||
| 9 | GLY | LEU | LEU | ALA | GLU | ARG | LEU | ARG | ILE | SER | ||||
| 10 | PRO | ASP | ARG | VAL | TYR | ILE | ASN | TYR | TYR | ASP | ||||
| 11 | MET | ASN | ALA | ALA | ASN | VAL | GLY | TRP | ASN | ASN | ||||
| 12 | SER | THR | PHE | ALA |
Samples:
sample_1: Y99C MIF monomer, [U-99% 15N], 1.0 mM; WT MIF monomer, [U-99% 15N], 1.0 mM; sodium phosphate 20 mM; EDTA 1.0 mM; D2O 10%
sample_conditions_1: ionic strength: 20.0 mM; pH: 7.0; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| T1/R1 relaxation | sample_1 | isotropic | sample_conditions_1 |
| T2/R2 relaxation | sample_1 | isotropic | sample_conditions_1 |
| 1H-15N heteronoe | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe - processing
NMRDraw - processing
NMRFAM-SPARKY - data analysis
NMR spectrometers:
- Bruker Avance 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts