BMRB Entry 51094
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51094
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Title: NISTmAb-scFv PubMed: 36083574
Deposition date: 2021-09-22 Original release date: 2022-10-06
Authors: Ghasriani, Houman; Ahmadi, Sara; Hodgson, Derek; Aubin, Yves
Citation: Ghasriani, Houman; Ahmadi, Sara; Hodgson, Derek; Aubin, Yves. "Backbone and side-chain resonance assignments of the NISTmAb-scFv and antigen-binding study" Biomol. NMR Assign. 16, 391-398 (2022).
Assembly members:
entity_1, polymer, 252 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: PET15b10
Entity Sequences (FASTA):
entity_1: GSHMQVTLRESGPALVKPTQ
TLTLTCTFSGFSLSTAGMSV
GWIRQPPGKALEWLADIWWD
DKKHYNPSLKDRLTISKDTS
KNQVVLKVTNMDPADTATYY
CARDMIFNFYFDVWGQGTTV
TVSSGGGGSGGGGSGGGGSG
GGGSDIQMTQSPSTLSASVG
DRVTITCSASSRVGYMHWYQ
QKPGKAPKLLIYDTSKLASG
VPSRFSGSGSGTEFTLTISS
LQPDDFATYYCFQGSGYPFT
FGGGTKVEIKRT
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 796 |
15N chemical shifts | 217 |
1H chemical shifts | 1150 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | NISTmAb-scFv | 1 |
Entities:
Entity 1, NISTmAb-scFv 252 residues - Formula weight is not available
1 | GLY | SER | HIS | MET | GLN | VAL | THR | LEU | ARG | GLU | ||||
2 | SER | GLY | PRO | ALA | LEU | VAL | LYS | PRO | THR | GLN | ||||
3 | THR | LEU | THR | LEU | THR | CYS | THR | PHE | SER | GLY | ||||
4 | PHE | SER | LEU | SER | THR | ALA | GLY | MET | SER | VAL | ||||
5 | GLY | TRP | ILE | ARG | GLN | PRO | PRO | GLY | LYS | ALA | ||||
6 | LEU | GLU | TRP | LEU | ALA | ASP | ILE | TRP | TRP | ASP | ||||
7 | ASP | LYS | LYS | HIS | TYR | ASN | PRO | SER | LEU | LYS | ||||
8 | ASP | ARG | LEU | THR | ILE | SER | LYS | ASP | THR | SER | ||||
9 | LYS | ASN | GLN | VAL | VAL | LEU | LYS | VAL | THR | ASN | ||||
10 | MET | ASP | PRO | ALA | ASP | THR | ALA | THR | TYR | TYR | ||||
11 | CYS | ALA | ARG | ASP | MET | ILE | PHE | ASN | PHE | TYR | ||||
12 | PHE | ASP | VAL | TRP | GLY | GLN | GLY | THR | THR | VAL | ||||
13 | THR | VAL | SER | SER | GLY | GLY | GLY | GLY | SER | GLY | ||||
14 | GLY | GLY | GLY | SER | GLY | GLY | GLY | GLY | SER | GLY | ||||
15 | GLY | GLY | GLY | SER | ASP | ILE | GLN | MET | THR | GLN | ||||
16 | SER | PRO | SER | THR | LEU | SER | ALA | SER | VAL | GLY | ||||
17 | ASP | ARG | VAL | THR | ILE | THR | CYS | SER | ALA | SER | ||||
18 | SER | ARG | VAL | GLY | TYR | MET | HIS | TRP | TYR | GLN | ||||
19 | GLN | LYS | PRO | GLY | LYS | ALA | PRO | LYS | LEU | LEU | ||||
20 | ILE | TYR | ASP | THR | SER | LYS | LEU | ALA | SER | GLY | ||||
21 | VAL | PRO | SER | ARG | PHE | SER | GLY | SER | GLY | SER | ||||
22 | GLY | THR | GLU | PHE | THR | LEU | THR | ILE | SER | SER | ||||
23 | LEU | GLN | PRO | ASP | ASP | PHE | ALA | THR | TYR | TYR | ||||
24 | CYS | PHE | GLN | GLY | SER | GLY | TYR | PRO | PHE | THR | ||||
25 | PHE | GLY | GLY | GLY | THR | LYS | VAL | GLU | ILE | LYS | ||||
26 | ARG | THR |
Samples:
sample_1: NISTmAb-scFv, [U-13C; U-15N], 0.25 mM; phosphate buffer 20 mM
sample_conditions_1: ionic strength: 100 mM; pH: 6.0; pressure: 1 atm; temperature: 313 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D (H)CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
3D HA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HBHANH | sample_1 | isotropic | sample_conditions_1 |
3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
3D HNCA | sample_1 | isotropic | sample_conditions_1 |
3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
3D (H)N(CA)NNH | sample_1 | isotropic | sample_conditions_1 |
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
3D HNHA | sample_1 | isotropic | sample_conditions_1 |
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
3D 1H-13C NOESY | 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 (Hb)Cb(CgCd)Hd | sample_1 | isotropic | sample_conditions_1 |
3D (Hb)Cb(CgCdCe)He | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY v3.135 - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE NEO 600 MHz
- Bruker AVANCE III 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts