BMRB Entry 53423
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53423
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Henot, Faustine; Vibert, Beatrice; Giraud, Arthur; Dbira, Sarra; Imbert, Lionel; Favier, Adrien; Guntert, Peter; Clavier, Severine; Crublet, Elodie; Doyen, Camille; Boisbouvier, Jerome; Frances, Oriane. "A fast and efficient strategy for the NMR assignment of Fab methyl groups" J. Biomol. NMR ., .-..
Assembly members:
entity_1, polymer, 239 residues, Formula weight is not available
entity_2, polymer, 263 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: cell free synthesis Host organism: Escherichia coli Vector: pIVEX2.4d
Entity Sequences (FASTA):
entity_1: MSGSHHHHHHSSGIEGRGRE
NLYFQGDIQMTQSPSSLSAS
VGDRVTITCKASQDIDRYMA
WYQDKPGKAPRLLIHDTSTL
QSGVPSRFSGSGSGRDYTLT
ISNLEPEDFATYYCLQYDNL
WTFGGGTKVEIKRTVAAPSV
FIFPPSDEQLKSGTASVVCL
LNNFYPREAKVQWKVDNALQ
SGNSQESVTEQDSKDSTYSL
SSTLTLSKADYEKHKVYACE
VTHQGLSSPVTKSFNRGEC
entity_2: MGWSHPQFEKGGGSGGGSGG
SAWSHPQFEKENLYFQGQVQ
LVQSGAEVKKPGSSVKVSCK
ASGYIFTNYNIHWVKKSPGQ
GLEWIGAIYPGNGDAPYSQK
FQGKATLTADTSTSTTYMEL
SSLRSEDTAVYYCVRANWDV
AFAYWGQGTLVTVSSASTKG
PSVFPLAPSSKSTSGGTAAL
GCLVKDYFPEPVTVSWNSGA
LTSGVHTFPAVLQSSGLYSL
SSVVTVPSSSLGTQTYICNV
NHKPSNTKVDKKVEPKSCDK
THT
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 125 |
| 1H chemical shifts | 375 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | LC | 1 |
| 2 | HC | 2 |
Entities:
Entity 1, LC 239 residues - Formula weight is not available
| 1 | MET | SER | GLY | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | SER | SER | GLY | ILE | GLU | GLY | ARG | GLY | ARG | GLU | ||||
| 3 | ASN | LEU | TYR | PHE | GLN | GLY | ASP | ILE | GLN | MET | ||||
| 4 | THR | GLN | SER | PRO | SER | SER | LEU | SER | ALA | SER | ||||
| 5 | VAL | GLY | ASP | ARG | VAL | THR | ILE | THR | CYS | LYS | ||||
| 6 | ALA | SER | GLN | ASP | ILE | ASP | ARG | TYR | MET | ALA | ||||
| 7 | TRP | TYR | GLN | ASP | LYS | PRO | GLY | LYS | ALA | PRO | ||||
| 8 | ARG | LEU | LEU | ILE | HIS | ASP | THR | SER | THR | LEU | ||||
| 9 | GLN | SER | GLY | VAL | PRO | SER | ARG | PHE | SER | GLY | ||||
| 10 | SER | GLY | SER | GLY | ARG | ASP | TYR | THR | LEU | THR | ||||
| 11 | ILE | SER | ASN | LEU | GLU | PRO | GLU | ASP | PHE | ALA | ||||
| 12 | THR | TYR | TYR | CYS | LEU | GLN | TYR | ASP | ASN | LEU | ||||
| 13 | TRP | THR | PHE | GLY | GLY | GLY | THR | LYS | VAL | GLU | ||||
| 14 | ILE | LYS | ARG | THR | VAL | ALA | ALA | PRO | SER | VAL | ||||
| 15 | PHE | ILE | PHE | PRO | PRO | SER | ASP | GLU | GLN | LEU | ||||
| 16 | LYS | SER | GLY | THR | ALA | SER | VAL | VAL | CYS | LEU | ||||
| 17 | LEU | ASN | ASN | PHE | TYR | PRO | ARG | GLU | ALA | LYS | ||||
| 18 | VAL | GLN | TRP | LYS | VAL | ASP | ASN | ALA | LEU | GLN | ||||
| 19 | SER | GLY | ASN | SER | GLN | GLU | SER | VAL | THR | GLU | ||||
| 20 | GLN | ASP | SER | LYS | ASP | SER | THR | TYR | SER | LEU | ||||
| 21 | SER | SER | THR | LEU | THR | LEU | SER | LYS | ALA | ASP | ||||
| 22 | TYR | GLU | LYS | HIS | LYS | VAL | TYR | ALA | CYS | GLU | ||||
| 23 | VAL | THR | HIS | GLN | GLY | LEU | SER | SER | PRO | VAL | ||||
| 24 | THR | LYS | SER | PHE | ASN | ARG | GLY | GLU | CYS |
Entity 2, HC 263 residues - Formula weight is not available
| 1 | MET | GLY | TRP | SER | HIS | PRO | GLN | PHE | GLU | LYS | ||||
| 2 | GLY | GLY | GLY | SER | GLY | GLY | GLY | SER | GLY | GLY | ||||
| 3 | SER | ALA | TRP | SER | HIS | PRO | GLN | PHE | GLU | LYS | ||||
| 4 | GLU | ASN | LEU | TYR | PHE | GLN | GLY | GLN | VAL | GLN | ||||
| 5 | LEU | VAL | GLN | SER | GLY | ALA | GLU | VAL | LYS | LYS | ||||
| 6 | PRO | GLY | SER | SER | VAL | LYS | VAL | SER | CYS | LYS | ||||
| 7 | ALA | SER | GLY | TYR | ILE | PHE | THR | ASN | TYR | ASN | ||||
| 8 | ILE | HIS | TRP | VAL | LYS | LYS | SER | PRO | GLY | GLN | ||||
| 9 | GLY | LEU | GLU | TRP | ILE | GLY | ALA | ILE | TYR | PRO | ||||
| 10 | GLY | ASN | GLY | ASP | ALA | PRO | TYR | SER | GLN | LYS | ||||
| 11 | PHE | GLN | GLY | LYS | ALA | THR | LEU | THR | ALA | ASP | ||||
| 12 | THR | SER | THR | SER | THR | THR | TYR | MET | GLU | LEU | ||||
| 13 | SER | SER | LEU | ARG | SER | GLU | ASP | THR | ALA | VAL | ||||
| 14 | TYR | TYR | CYS | VAL | ARG | ALA | ASN | TRP | ASP | VAL | ||||
| 15 | ALA | PHE | ALA | TYR | TRP | GLY | GLN | GLY | THR | LEU | ||||
| 16 | VAL | THR | VAL | SER | SER | ALA | SER | THR | LYS | GLY | ||||
| 17 | PRO | SER | VAL | PHE | PRO | LEU | ALA | PRO | SER | SER | ||||
| 18 | LYS | SER | THR | SER | GLY | GLY | THR | ALA | ALA | LEU | ||||
| 19 | GLY | CYS | LEU | VAL | LYS | ASP | TYR | PHE | PRO | GLU | ||||
| 20 | PRO | VAL | THR | VAL | SER | TRP | ASN | SER | GLY | ALA | ||||
| 21 | LEU | THR | SER | GLY | VAL | HIS | THR | PHE | PRO | ALA | ||||
| 22 | VAL | LEU | GLN | SER | SER | GLY | LEU | TYR | SER | LEU | ||||
| 23 | SER | SER | VAL | VAL | THR | VAL | PRO | SER | SER | SER | ||||
| 24 | LEU | GLY | THR | GLN | THR | TYR | ILE | CYS | ASN | VAL | ||||
| 25 | ASN | HIS | LYS | PRO | SER | ASN | THR | LYS | VAL | ASP | ||||
| 26 | LYS | LYS | VAL | GLU | PRO | LYS | SER | CYS | ASP | LYS | ||||
| 27 | THR | HIS | THR |
Samples:
sample_1: Fab fragment from anti-LAMP1, [Met, Ala: 13CH3], 41 uM; MES 50 mM; NaCl 100 mM
sample_2: Fab fragment from anti-LAMP1, [Met, Ile-d1: 13CH3], 84 uM; MES 50 mM; NaCl 100 mM
sample_3: Fab fragment from anti-LAMP1, [Met, Val-pro-R: 13CH3], 41 uM; MES 50 mM; NaCl 100 mM
sample_4: Fab fragment from anti-LAMP1, [Met, Thr: 13CH3], 66 uM; MES 50 mM; NaCl 100 mM
sample_5: Fab fragment from anti-LAMP1, [Met, Ala, Ile-d1, Val-pro-R, Thr, Leu-pro-S: 13CH3], 314 uM; MES 50 mM; NaCl 100 mM
sample_6: Fab fragment from anti-LAMP1, [Ala, Ile-d1, Val-pro-R: U-[13C], 13CH3], 258 uM; MES 50 mM; NaCl 100 mM
sample_conditions_1: ionic strength: 0.125 M; pH: 6.9; pressure: 1 atm; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HMQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HMQC | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-13C HMQC | sample_4 | isotropic | sample_conditions_1 |
| CCH HMQC-NOESY-HMQC | sample_5 | isotropic | sample_conditions_1 |
| HCC | sample_6 | isotropic | sample_conditions_1 |
| HC(C)C | sample_6 | isotropic | sample_conditions_1 |
| HC(CC)C | sample_6 | isotropic | sample_conditions_1 |
Software:
CcpNMR - data analysis, peak picking
NMRPipe - processing
TOPSPIN - collection, processing
Chimera - data analysis
NMR spectrometers:
- Bruker AVANCE NEO 950 MHz