BMRB Entry 52880

Name: SMART A*02:01/TAX9 in complex with the A6c134 T cell receptor
Published: 2025-05-23

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52880

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

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Title:

SMART A*02:01/TAX9 in complex with the A6c134 T cell receptor

Deposition date:

2025-01-21

Original release date:

2025-05-23

Authors:

Woodward, Claire; Sgourakis, Nikolaos

Citation:

Citation: Woodward, Claire; Chaudhuri, Apala; Chen, Xiaojing; White, William; Garcia, K.; Baker, David; Sgourakis, Nikolaos. "Solution mapping of MHC-I:TCR interactions using a minimalistic protein system" Proc. Natl. Acad. Sci. U.S.A. ., .-. (2025).

Assembly members:

Assembly members:
entity_1, polymer, 250 residues, Formula weight is not available
entity_2, polymer, 9 residues, Formula weight is not available
entity_3, polymer, 200 residues, Formula weight is not available
entity_4, polymer, 245 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DREDVERLLRSVEWAIKAGD PYSARILVELAREDAEKIGD ERLRREVEELLRELEELEEE LARLPKLPPDGSHSMKYIFT SISRPGRGEPRFIAVGYVDD TQFVRFDSDAASQRMEPRAP WIEQEGPEYWDGETRKVKAH SQTHRVDLGTLRGYYNQSEA GSHTVQRMYGCDVDENWRFV RGYHQYAYDGKDYIALKEDL RSWTAADMAAQTTKHKWEAA HVAEQLRAYLEGTCVEWLRR YLENGKETLQ
entity_2: LLFGYPVYV
entity_3: KEVEQNSGPLSVPEGAIASL NCTYSDRGSQSFFWYRQYSG KSPELIMSIYSNGDKEDGRF TAQLNKASQYVSLLIRDSQP SDSATYLCAVTTDSWGKLQF GAGTQVVVTPDIQNPDPAVY QLRDSKSSDKSVCLFTDFDS QTNVSQSKDSDVYITDKTVL DMRSMDFKSNSAVAWSNKSD FACANAFNNSIIPEDTFFPS
entity_4: NAGVTQTPKFQVLKTGQSMT LQCAQDMNHEYMSWYRQDPG MGLRLIHYSVGAGITDQGEV PNGYNVSRSTTEDFPLRLLS AAPSQTSVYFCASRPGLMSA QPEQYFGPGTRLTVTEDLKN VFPPEVAVFEPSEAEISHTQ KATLVCLATGFYPDHVELSW WVNGKEVHSGVSTDPQPLKE QPALNDSRYALSSRLRVSAT FWQDPRNHFRCQVQFYGLSE NDEWTQDRAKPVTQIVSAEA WGRAD

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
15N chemical shifts	207
1H chemical shifts	207

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SMART A*02:01	1
2	TAX9	2
3	A6c134 a	3
4	A6c134 b	4

Entities:

Entity 1, SMART A*02:01 250 residues - Formula weight is not available

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

Entity 2, TAX9 9 residues - Formula weight is not available

1

LEU

PHE

GLY

TYR

PRO

VAL

TYR

VAL

Entity 3, A6c134 a 200 residues - Formula weight is not available

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

Entity 4, A6c134 b 245 residues - Formula weight is not available

1

ASN

ALA

GLY

VAL

THR

GLN

THR

PRO

LYS

PHE

2

GLN

VAL

LEU

LYS

THR

GLY

GLN

SER

MET

THR

3

LEU

GLN

CYS

ALA

GLN

ASP

MET

ASN

HIS

GLU

4

TYR

MET

SER

TRP

TYR

ARG

GLN

ASP

PRO

GLY

5

MET

GLY

LEU

ARG

LEU

ILE

HIS

TYR

SER

VAL

6

GLY

ALA

GLY

ILE

THR

ASP

GLN

GLY

GLU

VAL

7

PRO

ASN

GLY

TYR

ASN

VAL

SER

ARG

SER

THR

8

THR

GLU

ASP

PHE

PRO

LEU

ARG

LEU

SER

9

ALA

PRO

SER

GLN

THR

SER

VAL

TYR

PHE

10

CYS

ALA

SER

ARG

PRO

GLY

LEU

MET

SER

ALA

11

GLN

PRO

GLU

GLN

TYR

PHE

GLY

PRO

GLY

THR

12

ARG

LEU

THR

VAL

THR

GLU

ASP

LEU

LYS

ASN

13

VAL

PHE

PRO

GLU

VAL

ALA

VAL

PHE

GLU

14

PRO

SER

GLU

ALA

GLU

ILE

SER

HIS

THR

GLN

15

LYS

ALA

THR

LEU

VAL

CYS

LEU

ALA

THR

GLY

16

PHE

TYR

PRO

ASP

HIS

VAL

GLU

LEU

SER

TRP

17

TRP

VAL

ASN

GLY

LYS

GLU

VAL

HIS

SER

GLY

18

VAL

SER

THR

ASP

PRO

GLN

PRO

LEU

LYS

GLU

19

GLN

PRO

ALA

LEU

ASN

ASP

SER

ARG

TYR

ALA

20

LEU

SER

ARG

LEU

ARG

VAL

SER

ALA

THR

21

PHE

TRP

GLN

ASP

PRO

ARG

ASN

HIS

PHE

ARG

22

CYS

GLN

VAL

GLN

PHE

TYR

GLY

LEU

SER

GLU

23

ASN

ASP

GLU

TRP

THR

GLN

ASP

ARG

ALA

LYS

24

PRO

VAL

THR

GLN

ILE

VAL

SER

ALA

GLU

ALA

25

TRP

GLY

ARG

ALA

ASP

Name	Sample	Sample state	Sample conditions
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

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

BMRB Entry 52880

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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

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

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

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

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

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