Details for 4ozi

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Structure information

S2 Protein complex

Item	Info
PDB	4ozi
Organism	HOMO SAPIENS
Method	X-RAY DIFFRACTION
Resolution	3.2Å
Number of TCRs	2

Paired chains information

This PDB has 2 TCR(s).

F / E

TCR Details:

Item	Info
VB chain	F
VA chain	E
VB IMGT details	TRBV20/TRBJ2
VA IMGT details	TRAV4/TRAJ4
Species	human

Antigen Details:

Item	Info
Antigen Chain	I
Antigen Type	Peptide
Antigen Organism	TRITICUM AESTIVUM
Antigen Sequence	QPFPQPELPYPGS
Antigen Length	13

MHC details:

Item	Info
MHC Chain	C \| NA
MHC Type	GA
MHC Species	human

Numbered sequence

Chain type

Chain ID

FASTA/Annotation file

IMGT numbered sequence (Framework/CDR)

FASTA file

B2	B3	B4	B5	B6	B7	B8	B9
M	V	V	S	Q	H	P	S
B10	B11	B12	B13	B14	B15	B16	B17
W	V	I	C	K	S	G	T
B18	B19	B20	B21	B22	B23	B24	B25
S	V	K	I	E	C	R	S
B26	B27	B28	B29	B36	B37	B38	B39
L	D	F	Q	A	T	T	M
B40	B41	B42	B43	B44	B45	B46	B47
F	W	Y	R	Q	F	P	K
B48	B49	B50	B51	B52	B53	B54	B55
Q	S	L	M	L	M	A	T
B56	B57	B58	B59	B63	B64	B65	B66
S	N	E	G	S	K	A	T
B67	B68	B69	B70	B71	B72	B73	B74
Y	E	Q	G	V	E	K	D
B75	B76	B77	B78	B79	B80	B81	B83
K	F	L	I	N	H	A	S
B84	B85	B86	B87	B88	B89	B90	B91
L	T	L	S	T	L	T	V
B92	B93	B94	B95	B96	B97	B98	B99
T	S	A	H	P	E	D	S
B100	B101	B102	B103	B104	B105	B106	B107
S	F	Y	I	C	S	A	G
B108	B109	B110	B113	B114	B115	B116	B117
V	G	G	Q	E	T	Q	Y
B118	B119	B120	B121	B122	B123	B124	B125
F	G	P	G	T	R	L	L
B126	B127
V	L

FASTA file

A3	A4	A5	A6	A8	A9	A10	A11
K	T	T	Q	P	I	S	M
A12	A13	A14	A15	A16	A17	A18	A19
D	S	Y	E	G	Q	E	V
A20	A21	A22	A23	A24	A25	A26	A27
N	I	T	C	S	H	N	N
A28	A29	A30	A36	A37	A38	A39	A40
I	A	T	N	D	Y	I	T
A41	A42	A43	A44	A45	A46	A47	A48
W	Y	Q	Q	F	P	S	Q
A49	A50	A51	A52	A53	A54	A55	A56
G	P	R	F	I	I	Q	G
A57	A58	A64	A65	A66	A67	A68	A74
Y	K	T	K	V	T	N	E
A75	A76	A77	A78	A79	A80	A81	A82
V	A	S	L	F	I	P	A
A83	A84	A85	A86	A87	A88	A89	A90
D	R	K	S	S	T	L	S
A91	A92	A93	A94	A95	A96	A97	A98
L	P	R	V	S	L	S	D
A99	A100	A101	A102	A103	A104	A105	A106
T	A	V	Y	Y	C	L	V
A107	A108	A109	A110	A111	A111A	A112B	A112A
G	D	G	G	S	F	S	G
A112	A113	A114	A115	A116	A117	A118	A119
G	Y	N	K	L	I	F	G
A120	A121	A122	A123	A124	A125	A126	A127
A	G	T	R	L	A	V	H
A128
P

CDR Sequences:

Loop	Sequence	Predicted canonical form	CDR Length
CDRB3	SAGVGGQETQY	None	11
CDRB2	SNEGSKA	None	7
CDRB1	DFQATT	None	6
CDRA3	LVGDGGSFSGGYNKLI	None	16
CDRA2	GYKTK	None	5
CDRA1	NIATNDY	None	7

Orientation and docking angles:

Angle	Value
BC2	99.58°
BC1	68.33°
BA	-59.15°
AC2	90.72°
AC1	129.08°
dc	17.72Å

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
5d7k_ED	101.16°	70.37°	-59.20°	86.27°	126.06°	17.13Å	6.0
4ozg_HG	102.14°	72.61°	-57.16°	93.52°	129.20°	17.54Å	6.1
7n5p_ED	104.77°	69.71°	-58.12°	91.83°	131.57°	18.06Å	6.1
7n4k_ED	105.07°	69.54°	-58.83°	91.75°	131.98°	18.15Å	6.4
3tyf_BA	101.94°	70.96°	-62.36°	86.65°	127.41°	17.27Å	6.5

H / G

TCR Details:

Item	Info
VB chain	H
VA chain	G
VB IMGT details	TRBV20/TRBJ2
VA IMGT details	TRAV4/TRAJ4
Species	human

Antigen Details:

Item	Info
Antigen Chain	J
Antigen Type	Peptide
Antigen Organism	TRITICUM AESTIVUM
Antigen Sequence	QPFPQPELPYPGS
Antigen Length	13

MHC details:

Item	Info
MHC Chain	A \| B
MHC Type	MH2
MHC Species	human
MHC IMGT details	HLA-DQA10501 / HLA-DQB10201

Numbered sequence

Chain type

Chain ID

FASTA/Annotation file

IMGT numbered sequence (Framework/CDR)

FASTA file

B2	B3	B4	B5	B6	B7	B8	B9
M	V	V	S	Q	H	P	S
B10	B11	B12	B13	B14	B15	B16	B17
W	V	I	C	K	S	G	T
B18	B19	B20	B21	B22	B23	B24	B25
S	V	K	I	E	C	R	S
B26	B27	B28	B29	B36	B37	B38	B39
L	D	F	Q	A	T	T	M
B40	B41	B42	B43	B44	B45	B46	B47
F	W	Y	R	Q	F	P	K
B48	B49	B50	B51	B52	B53	B54	B55
Q	S	L	M	L	M	A	T
B56	B57	B58	B59	B63	B64	B65	B66
S	N	E	G	S	K	A	T
B67	B68	B69	B70	B71	B72	B73	B74
Y	E	Q	G	V	E	K	D
B75	B76	B77	B78	B79	B80	B81	B83
K	F	L	I	N	H	A	S
B84	B85	B86	B87	B88	B89	B90	B91
L	T	L	S	T	L	T	V
B92	B93	B94	B95	B96	B97	B98	B99
T	S	A	H	P	E	D	S
B100	B101	B102	B103	B104	B105	B106	B107
S	F	Y	I	C	S	A	G
B108	B109	B110	B113	B114	B115	B116	B117
V	G	G	Q	E	T	Q	Y
B118	B119	B120	B121	B122	B123	B124	B125
F	G	P	G	T	R	L	L
B126	B127
V	L

FASTA file

A3	A4	A5	A6	A8	A9	A10	A11
K	T	T	Q	P	I	S	M
A12	A13	A14	A15	A16	A17	A18	A19
D	S	Y	E	G	Q	E	V
A20	A21	A22	A23	A24	A25	A26	A27
N	I	T	C	S	H	N	N
A28	A29	A30	A36	A37	A38	A39	A40
I	A	T	N	D	Y	I	T
A41	A42	A43	A44	A45	A46	A47	A48
W	Y	Q	Q	F	P	S	Q
A49	A50	A51	A52	A53	A54	A55	A56
G	P	R	F	I	I	Q	G
A57	A58	A64	A65	A66	A67	A68	A74
Y	K	T	K	V	T	N	E
A75	A76	A77	A78	A79	A80	A81	A82
V	A	S	L	F	I	P	A
A83	A84	A85	A86	A87	A88	A89	A90
D	R	K	S	S	T	L	S
A91	A92	A93	A94	A95	A96	A97	A98
L	P	R	V	S	L	S	D
A99	A100	A101	A102	A103	A104	A105	A106
T	A	V	Y	Y	C	L	V
A107	A108	A109	A110	A111	A111A	A112B	A112A
G	D	G	G	S	F	S	G
A112	A113	A114	A115	A116	A117	A118	A119
G	Y	N	K	L	I	F	G
A120	A121	A122	A123	A124	A125	A126	A127
A	G	T	R	L	A	V	H
A128
P

CDR Sequences:

Loop	Sequence	Predicted canonical form	CDR Length
CDRB3	SAGVGGQETQY	None	11
CDRB2	SNEGSKA	None	7
CDRB1	DFQATT	None	6
CDRA3	LVGDGGSFSGGYNKLI	None	16
CDRA2	GYKTK	None	5
CDRA1	NIATNDY	None	7

Orientation and docking angles:

Angle	Value
BC2	100.50°
BC1	69.32°
BA	-58.30°
AC2	90.84°
AC1	129.08°
dc	17.59Å
Docking angle	45.77°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
4ozg_HG	102.14°	72.61°	-57.16°	93.52°	129.20°	17.54Å	4.7
7n5p_ED	104.77°	69.71°	-58.12°	91.83°	131.57°	18.06Å	5.1
7n4k_ED	105.07°	69.54°	-58.83°	91.75°	131.98°	18.15Å	5.5
5d7k_ED	101.16°	70.37°	-59.20°	86.27°	126.06°	17.13Å	5.7
3pqy_TS	105.91°	69.89°	-57.66°	90.05°	131.38°	18.13Å	6.0

Available downloads

Additional links and files for download: see help for more details.

Item	Link
IMGT-numbered structure	Link
Non-annotated structure from the PDB	Link
Summary file for this TCR	Link
Link in the PDB	Link