BMRB Entry 53602
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53602
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Gagne, Donald; Aubin, Yves. "HC-Fab Adalimumab" The BMRB entry is the only known published source for the data..
Assembly members:
entity_1, polymer, 229 residues, Formula weight is not available
entity_2, polymer, 215 residues, Formula weight is not available
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET11a
Entity Sequences (FASTA):
entity_1: MEVQLVESGGGLVQPGRSLR
LSCAASGFTFDDYAMHWVRQ
APGKGLEWVSAITWNSGHID
YADSVEGRFTISRDNAKNSL
YLQMNSLRAEDTAVYYCAKV
SYLSTASSLDYWGQGTLVTV
SSASTKGPSVFPLAPSSKST
SGGTAALGCLVKDYFPEPVT
VSWNSGALTSGVHTFPAVLQ
SSGLYSLSSVVTVPSSSLGT
QTYICNVNHKPSNTKVDKKV
EPKSCDKTH
entity_2: MDIQMTQSPSSLSASVGDRV
TITCRASQGIRNYLAWYQQK
PGKAPKLLIYAASTLQSGVP
SRFSGSGSGTDFTLTISSLQ
PEDVATYYCQRYNRAPYTFG
QGTKVEIKRTVAAPSVFIFP
PSDEQLKSGTASVVCLLNNF
YPREAKVQWKVDNALQSGNS
QESVTEQDSKDSTYSLSSTL
TLSKADYEKHKVYACEVTHQ
GLSSPVTKSFNRGEC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 671 |
| 15N chemical shifts | 189 |
| 1H chemical shifts | 486 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | 1 | 1 |
| 2 | 2 | 2 |
Entities:
Entity 1, 1 229 residues - Formula weight is not available
| 1 | MET | GLU | VAL | GLN | LEU | VAL | GLU | SER | GLY | GLY | ||||
| 2 | GLY | LEU | VAL | GLN | PRO | GLY | ARG | SER | LEU | ARG | ||||
| 3 | LEU | SER | CYS | ALA | ALA | SER | GLY | PHE | THR | PHE | ||||
| 4 | ASP | ASP | TYR | ALA | MET | HIS | TRP | VAL | ARG | GLN | ||||
| 5 | ALA | PRO | GLY | LYS | GLY | LEU | GLU | TRP | VAL | SER | ||||
| 6 | ALA | ILE | THR | TRP | ASN | SER | GLY | HIS | ILE | ASP | ||||
| 7 | TYR | ALA | ASP | SER | VAL | GLU | GLY | ARG | PHE | THR | ||||
| 8 | ILE | SER | ARG | ASP | ASN | ALA | LYS | ASN | SER | LEU | ||||
| 9 | TYR | LEU | GLN | MET | ASN | SER | LEU | ARG | ALA | GLU | ||||
| 10 | ASP | THR | ALA | VAL | TYR | TYR | CYS | ALA | LYS | VAL | ||||
| 11 | SER | TYR | LEU | SER | THR | ALA | SER | SER | LEU | ASP | ||||
| 12 | TYR | TRP | GLY | GLN | GLY | THR | LEU | VAL | THR | VAL | ||||
| 13 | SER | SER | ALA | SER | THR | LYS | GLY | PRO | SER | VAL | ||||
| 14 | PHE | PRO | LEU | ALA | PRO | SER | SER | LYS | SER | THR | ||||
| 15 | SER | GLY | GLY | THR | ALA | ALA | LEU | GLY | CYS | LEU | ||||
| 16 | VAL | LYS | ASP | TYR | PHE | PRO | GLU | PRO | VAL | THR | ||||
| 17 | VAL | SER | TRP | ASN | SER | GLY | ALA | LEU | THR | SER | ||||
| 18 | GLY | VAL | HIS | THR | PHE | PRO | ALA | VAL | LEU | GLN | ||||
| 19 | SER | SER | GLY | LEU | TYR | SER | LEU | SER | SER | VAL | ||||
| 20 | VAL | THR | VAL | PRO | SER | SER | SER | LEU | GLY | THR | ||||
| 21 | GLN | THR | TYR | ILE | CYS | ASN | VAL | ASN | HIS | LYS | ||||
| 22 | PRO | SER | ASN | THR | LYS | VAL | ASP | LYS | LYS | VAL | ||||
| 23 | GLU | PRO | LYS | SER | CYS | ASP | LYS | THR | HIS |
Entity 2, 2 215 residues - Formula weight is not available
| 1 | MET | ASP | ILE | GLN | MET | THR | GLN | SER | PRO | SER | ||||
| 2 | SER | LEU | SER | ALA | SER | VAL | GLY | ASP | ARG | VAL | ||||
| 3 | THR | ILE | THR | CYS | ARG | ALA | SER | GLN | GLY | ILE | ||||
| 4 | ARG | ASN | TYR | LEU | ALA | TRP | TYR | GLN | GLN | LYS | ||||
| 5 | PRO | GLY | LYS | ALA | PRO | LYS | LEU | LEU | ILE | TYR | ||||
| 6 | ALA | ALA | SER | THR | LEU | GLN | SER | GLY | VAL | PRO | ||||
| 7 | SER | ARG | PHE | SER | GLY | SER | GLY | SER | GLY | THR | ||||
| 8 | ASP | PHE | THR | LEU | THR | ILE | SER | SER | LEU | GLN | ||||
| 9 | PRO | GLU | ASP | VAL | ALA | THR | TYR | TYR | CYS | GLN | ||||
| 10 | ARG | TYR | ASN | ARG | ALA | PRO | TYR | THR | PHE | GLY | ||||
| 11 | GLN | GLY | THR | LYS | VAL | GLU | ILE | LYS | ARG | THR | ||||
| 12 | VAL | ALA | ALA | PRO | SER | VAL | PHE | ILE | PHE | PRO | ||||
| 13 | PRO | SER | ASP | GLU | GLN | LEU | LYS | SER | GLY | THR | ||||
| 14 | ALA | SER | VAL | VAL | CYS | LEU | LEU | ASN | ASN | PHE | ||||
| 15 | TYR | PRO | ARG | GLU | ALA | LYS | VAL | GLN | TRP | LYS | ||||
| 16 | VAL | ASP | ASN | ALA | LEU | GLN | SER | GLY | ASN | SER | ||||
| 17 | GLN | GLU | SER | VAL | THR | GLU | GLN | ASP | SER | LYS | ||||
| 18 | ASP | SER | THR | TYR | SER | LEU | SER | SER | THR | LEU | ||||
| 19 | THR | LEU | SER | LYS | ALA | ASP | TYR | GLU | LYS | HIS | ||||
| 20 | LYS | VAL | TYR | ALA | CYS | GLU | VAL | THR | HIS | GLN | ||||
| 21 | GLY | LEU | SER | SER | PRO | VAL | THR | LYS | SER | PHE | ||||
| 22 | ASN | ARG | GLY | GLU | CYS |
Samples:
sample_1: Fab fragment of the Heavy Chain (HC-Fab), [U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val], 580 uM; Light Chain (LC) 580 uM; DSS 1 mM; sodium acetate, [U-2H], 20 mM
sample_conditions_1: pH: 5.0; temperature: 313 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N TROSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN - collection
NMRPipe - processing
NMRViewJ - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE III 700 MHz
- Bruker AVANCE NEO 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks