Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53093

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Please specify the pdb ID.

Name: Chemical shift assignments of Y9-Glue
Published: 2026-02-01

Title:

Chemical shift assignments of Y9-Glue

Deposition date:

2025-05-01

Original release date:

2026-02-01

Authors:

Kumeta, Hiroyuki; Kobashigawa, Yoshihiro

Citation:

Citation: Okazaki, Kyo; Kobashigawa, Yoshihiro; Kumeta, Hiroyuki; Aramaki, Kose; Nagata, Takako; Kamesawa, Sena; Sato, Takashi; Morioka, Hiroshi. "Structure-based design and biophysical characterization of the linker sequence that associate to the VH-VL domain interface of the single-chain Fv antibody to suppress oligomerization propensity" Protein Sci. 35, e70450-e70450 (2026).
PubMed: 41556514

Assembly members:

Assembly members:
entity_1, polymer, 260 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: AQVKLQQSGPSLVKPSQTLS LTCSVTGDSITSGYWNWIRK FPGNKFEYLGYISYSGRTYY NPSLKSRISITRDTSKNQYY LQLNSVTTEDTATYYCSRPY YRYDYAIDYWGQGTTVTVGP EEQYSAYATTGATAGAGQSW YGEIELTQSPAIMSASLGEQ VTMTCTASSSVSSSYLHWYQ QKPGSSPKLWIYSTSNLASG VPARFSSSGSGTSYSLTISR MEAEDAATYYCQQSWKAPYT FGGGTKLEIAAALEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2

Data type	Count
13C chemical shifts	889
15N chemical shifts	267
1H chemical shifts	1375

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	GA-pyridine	1

Entities:

Entity 1, GA-pyridine 260 residues - Formula weight is not available

1	ALA	GLN	VAL	LYS	LEU	GLN	GLN	SER	GLY	PRO
2	SER	LEU	VAL	LYS	PRO	SER	GLN	THR	LEU	SER
3	LEU	THR	CYS	SER	VAL	THR	GLY	ASP	SER	ILE
4	THR	SER	GLY	TYR	TRP	ASN	TRP	ILE	ARG	LYS
5	PHE	PRO	GLY	ASN	LYS	PHE	GLU	TYR	LEU	GLY
6	TYR	ILE	SER	TYR	SER	GLY	ARG	THR	TYR	TYR
7	ASN	PRO	SER	LEU	LYS	SER	ARG	ILE	SER	ILE
8	THR	ARG	ASP	THR	SER	LYS	ASN	GLN	TYR	TYR
9	LEU	GLN	LEU	ASN	SER	VAL	THR	THR	GLU	ASP
10	THR	ALA	THR	TYR	TYR	CYS	SER	ARG	PRO	TYR
11	TYR	ARG	TYR	ASP	TYR	ALA	ILE	ASP	TYR	TRP
12	GLY	GLN	GLY	THR	THR	VAL	THR	VAL	GLY	PRO
13	GLU	GLU	GLN	TYR	SER	ALA	TYR	ALA	THR	THR
14	GLY	ALA	THR	ALA	GLY	ALA	GLY	GLN	SER	TRP
15	TYR	GLY	GLU	ILE	GLU	LEU	THR	GLN	SER	PRO
16	ALA	ILE	MET	SER	ALA	SER	LEU	GLY	GLU	GLN
17	VAL	THR	MET	THR	CYS	THR	ALA	SER	SER	SER
18	VAL	SER	SER	SER	TYR	LEU	HIS	TRP	TYR	GLN
19	GLN	LYS	PRO	GLY	SER	SER	PRO	LYS	LEU	TRP
20	ILE	TYR	SER	THR	SER	ASN	LEU	ALA	SER	GLY
21	VAL	PRO	ALA	ARG	PHE	SER	SER	SER	GLY	SER
22	GLY	THR	SER	TYR	SER	LEU	THR	ILE	SER	ARG
23	MET	GLU	ALA	GLU	ASP	ALA	ALA	THR	TYR	TYR
24	CYS	GLN	GLN	SER	TRP	LYS	ALA	PRO	TYR	THR
25	PHE	GLY	GLY	GLY	THR	LYS	LEU	GLU	ILE	ALA
26	ALA	ALA	LEU	GLU	HIS	HIS	HIS	HIS	HIS	HIS

Samples:

sample_1: Y9-Glue, [U-99% 13C; U-99% 15N], 300 uM; HEPES 50 mM; sodium chloride 150 mM; GA-pyridine 450 uM; D2O, [U-99% 2H], 10%

sample_conditions_1: ionic strength: 200 mM; pH: 7.4; pressure: 1 atm; temperature: 318.15 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	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 CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	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 15N-separated NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 13C-separated NOESY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v4.1.4 - collection

NMRPipe v8.2 - processing

SPARKY v3.113 - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

1	ALA	GLN	VAL	LYS	LEU	GLN	GLN	SER	GLY	PRO
2	SER	LEU	VAL	LYS	PRO	SER	GLN	THR	LEU	SER
3	LEU	THR	CYS	SER	VAL	THR	GLY	ASP	SER	ILE
4	THR	SER	GLY	TYR	TRP	ASN	TRP	ILE	ARG	LYS
5	PHE	PRO	GLY	ASN	LYS	PHE	GLU	TYR	LEU	GLY
6	TYR	ILE	SER	TYR	SER	GLY	ARG	THR	TYR	TYR
7	ASN	PRO	SER	LEU	LYS	SER	ARG	ILE	SER	ILE
8	THR	ARG	ASP	THR	SER	LYS	ASN	GLN	TYR	TYR
9	LEU	GLN	LEU	ASN	SER	VAL	THR	THR	GLU	ASP
10	THR	ALA	THR	TYR	TYR	CYS	SER	ARG	PRO	TYR
11	TYR	ARG	TYR	ASP	TYR	ALA	ILE	ASP	TYR	TRP
12	GLY	GLN	GLY	THR	THR	VAL	THR	VAL	GLY	PRO
13	GLU	GLU	GLN	TYR	SER	ALA	TYR	ALA	THR	THR
14	GLY	ALA	THR	ALA	GLY	ALA	GLY	GLN	SER	TRP
15	TYR	GLY	GLU	ILE	GLU	LEU	THR	GLN	SER	PRO
16	ALA	ILE	MET	SER	ALA	SER	LEU	GLY	GLU	GLN
17	VAL	THR	MET	THR	CYS	THR	ALA	SER	SER	SER
18	VAL	SER	SER	SER	TYR	LEU	HIS	TRP	TYR	GLN
19	GLN	LYS	PRO	GLY	SER	SER	PRO	LYS	LEU	TRP
20	ILE	TYR	SER	THR	SER	ASN	LEU	ALA	SER	GLY
21	VAL	PRO	ALA	ARG	PHE	SER	SER	SER	GLY	SER
22	GLY	THR	SER	TYR	SER	LEU	THR	ILE	SER	ARG
23	MET	GLU	ALA	GLU	ASP	ALA	ALA	THR	TYR	TYR
24	CYS	GLN	GLN	SER	TRP	LYS	ALA	PRO	TYR	THR
25	PHE	GLY	GLY	GLY	THR	LYS	LEU	GLU	ILE	ALA
26	ALA	ALA	LEU	GLU	HIS	HIS	HIS	HIS	HIS	HIS

1	ALA	GLN	VAL	LYS	LEU	GLN	GLN	SER	GLY	PRO
2	SER	LEU	VAL	LYS	PRO	SER	GLN	THR	LEU	SER
3	LEU	THR	CYS	SER	VAL	THR	GLY	ASP	SER	ILE
4	THR	SER	GLY	TYR	TRP	ASN	TRP	ILE	ARG	LYS
5	PHE	PRO	GLY	ASN	LYS	PHE	GLU	TYR	LEU	GLY
6	TYR	ILE	SER	TYR	SER	GLY	ARG	THR	TYR	TYR
7	ASN	PRO	SER	LEU	LYS	SER	ARG	ILE	SER	ILE
8	THR	ARG	ASP	THR	SER	LYS	ASN	GLN	TYR	TYR
9	LEU	GLN	LEU	ASN	SER	VAL	THR	THR	GLU	ASP
10	THR	ALA	THR	TYR	TYR	CYS	SER	ARG	PRO	TYR
11	TYR	ARG	TYR	ASP	TYR	ALA	ILE	ASP	TYR	TRP
12	GLY	GLN	GLY	THR	THR	VAL	THR	VAL	GLY	PRO
13	GLU	GLU	GLN	TYR	SER	ALA	TYR	ALA	THR	THR
14	GLY	ALA	THR	ALA	GLY	ALA	GLY	GLN	SER	TRP
15	TYR	GLY	GLU	ILE	GLU	LEU	THR	GLN	SER	PRO
16	ALA	ILE	MET	SER	ALA	SER	LEU	GLY	GLU	GLN
17	VAL	THR	MET	THR	CYS	THR	ALA	SER	SER	SER
18	VAL	SER	SER	SER	TYR	LEU	HIS	TRP	TYR	GLN
19	GLN	LYS	PRO	GLY	SER	SER	PRO	LYS	LEU	TRP
20	ILE	TYR	SER	THR	SER	ASN	LEU	ALA	SER	GLY
21	VAL	PRO	ALA	ARG	PHE	SER	SER	SER	GLY	SER
22	GLY	THR	SER	TYR	SER	LEU	THR	ILE	SER	ARG
23	MET	GLU	ALA	GLU	ASP	ALA	ALA	THR	TYR	TYR
24	CYS	GLN	GLN	SER	TRP	LYS	ALA	PRO	TYR	THR
25	PHE	GLY	GLY	GLY	THR	LYS	LEU	GLU	ILE	ALA
26	ALA	ALA	LEU	GLU	HIS	HIS	HIS	HIS	HIS	HIS

BMRB Entry 53093