Details for 3o6f

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Structure information

Crystal Structure of a Human autoimmune TCR Ms2-3C8 Bound to MHC Class Ii Self-Ligand Mbp/HLA-Dr4

Item	Info
PDB	3o6f
Organism	HOMO SAPIENS
Method	X-RAY DIFFRACTION
Resolution	2.8Å
Number of TCRs	2

Paired chains information

This PDB has 2 TCR(s).

D / C

TCR Details:

Item	Info
VB chain	D
VA chain	C
VB IMGT details	TRBV20/TRBJ1
VA IMGT details	TRAV26/TRAJ32
Species	human

MHC details:

Item	Info
MHC Chain	A \| B
MHC Type	MH2
MHC Species	human
MHC IMGT details	HLA-DRA0101 / HLA-DRB10401

Numbered sequence

Chain type

Chain ID

FASTA/Annotation file

IMGT numbered sequence (Framework/CDR)

FASTA file

B3	B4	B5	B6	B7	B8	B9	B10
V	V	S	Q	H	P	S	W
B11	B12	B13	B14	B15	B16	B17	B18
V	I	A	K	S	G	T	S
B19	B20	B21	B22	B23	B24	B25	B26
V	K	I	E	C	R	S	L
B27	B28	B29	B36	B37	B38	B39	B40
D	F	Q	A	T	T	M	F
B41	B42	B43	B44	B45	B46	B47	B48
W	Y	R	Q	F	P	K	Q
B49	B50	B51	B52	B53	B54	B55	B56
S	L	M	L	M	A	T	S
B57	B58	B59	B63	B64	B65	B66	B67
N	E	G	S	K	A	T	Y
B68	B69	B70	B71	B72	B73	B74	B75
E	Q	G	V	E	K	D	K
B76	B77	B78	B79	B80	B81	B83	B84
F	L	I	N	H	A	S	L
B85	B86	B87	B88	B89	B90	B91	B92
T	L	S	T	L	T	V	T
B93	B94	B95	B96	B97	B98	B99	B100
S	A	H	P	E	D	S	S
B101	B102	B103	B104	B105	B106	B107	B108
F	Y	I	C	S	A	R	G
B109	B110	B112	B113	B114	B115	B116	B117
G	S	Y	N	S	P	L	H
B118	B119	B120	B121	B122	B123	B124	B125
F	G	N	G	T	R	L	T
B126	B127
V	T

FASTA file

A1	A2	A3	A4	A5	A6	A8	A9
D	A	K	T	T	Q	P	N
A10	A11	A12	A13	A14	A15	A16	A17
S	M	E	S	N	E	E	E
A18	A19	A20	A21	A22	A23	A24	A25
P	V	H	L	P	C	N	H
A26	A27	A28	A29	A30	A36	A37	A38
S	T	I	S	G	T	D	Y
A39	A40	A41	A42	A43	A44	A45	A46
I	H	W	Y	R	Q	L	P
A47	A48	A49	A50	A51	A52	A53	A54
S	Q	G	P	E	Y	V	I
A55	A56	A57	A58	A64	A65	A66	A67
H	G	L	T	S	N	V	N
A68	A74	A75	A76	A77	A78	A79	A80
N	R	M	A	S	L	A	I
A81	A82	A83	A84	A85	A86	A87	A88
A	E	D	R	K	S	S	T
A89	A90	A91	A92	A93	A94	A95	A96
L	I	L	H	R	A	T	L
A97	A98	A99	A100	A101	A102	A103	A104
R	D	A	A	V	Y	Y	C
A105	A106	A107	A108	A109	A110	A113	A114
T	V	Y	G	G	A	T	N
A115	A116	A117	A118	A119	A120	A121	A122
K	L	I	F	G	T	G	T
A123	A124	A125	A126	A127	A128
L	L	A	V	Q	P

CDR Sequences:

Loop	Sequence	Predicted canonical form	CDR Length
CDRB3	SARGGSYNSPLH	None	12
CDRB2	SNEGSKA	None	7
CDRB1	DFQATT	None	6
CDRA3	TVYGGATNKLI	None	11
CDRA2	GLTSN	None	5
CDRA1	TISGTDY	None	7

Orientation and docking angles:

Angle	Value
BC2	103.49°
BC1	71.13°
BA	-50.50°
AC2	89.54°
AC1	132.65°
dc	17.59Å
Docking angle	35.82°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
3t0e_DC	104.85°	71.10°	-52.97°	88.52°	133.53°	17.82Å	3.1
2eys_BA	105.18°	68.91°	-48.08°	87.29°	132.33°	17.71Å	4.3
3dx9_DC	103.97°	70.05°	-51.49°	90.65°	128.47°	17.29Å	4.6
2cde_BA	102.73°	68.97°	-51.15°	85.99°	130.58°	17.61Å	4.7
4pj8_DC	103.12°	69.08°	-49.98°	85.22°	131.61°	17.49Å	4.9

H / G

TCR Details:

Item	Info
VB chain	H
VA chain	G
VB IMGT details	TRBV20/TRBJ1
VA IMGT details	TRAV26/TRAJ32
Species	human

MHC details:

Item	Info
MHC Chain	E \| F
MHC Type	MH2
MHC Species	human
MHC IMGT details	HLA-DRA0101 / HLA-DRB10401

Numbered sequence

Chain type

Chain ID

FASTA/Annotation file

IMGT numbered sequence (Framework/CDR)

FASTA file

B3	B4	B5	B6	B7	B8	B9	B10
V	V	S	Q	H	P	S	W
B11	B12	B13	B14	B15	B16	B17	B18
V	I	A	K	S	G	T	S
B19	B20	B21	B22	B23	B24	B25	B26
V	K	I	E	C	R	S	L
B27	B28	B29	B36	B37	B38	B39	B40
D	F	Q	A	T	T	M	F
B41	B42	B43	B44	B45	B46	B47	B48
W	Y	R	Q	F	P	K	Q
B49	B50	B51	B52	B53	B54	B55	B56
S	L	M	L	M	A	T	S
B57	B58	B59	B63	B64	B65	B66	B67
N	E	G	S	K	A	T	Y
B68	B69	B70	B71	B72	B73	B74	B75
E	Q	G	V	E	K	D	K
B76	B77	B78	B79	B80	B81	B83	B84
F	L	I	N	H	A	S	L
B85	B86	B87	B88	B89	B90	B91	B92
T	L	S	T	L	T	V	T
B93	B94	B95	B96	B97	B98	B99	B100
S	A	H	P	E	D	S	S
B101	B102	B103	B104	B105	B106	B107	B108
F	Y	I	C	S	A	R	G
B109	B110	B112	B113	B114	B115	B116	B117
G	S	Y	N	S	P	L	H
B118	B119	B120	B121	B122	B123	B124	B125
F	G	N	G	T	R	L	T
B126	B127
V	T

FASTA file

A1	A2	A3	A4	A5	A6	A8	A9
D	A	K	T	T	Q	P	N
A10	A11	A12	A13	A14	A15	A16	A17
S	M	E	S	N	E	E	E
A18	A19	A20	A21	A22	A23	A24	A25
P	V	H	L	P	C	N	H
A26	A27	A28	A29	A30	A36	A37	A38
S	T	I	S	G	T	D	Y
A39	A40	A41	A42	A43	A44	A45	A46
I	H	W	Y	R	Q	L	P
A47	A48	A49	A50	A51	A52	A53	A54
S	Q	G	P	E	Y	V	I
A55	A56	A57	A58	A64	A65	A66	A67
H	G	L	T	S	N	V	N
A68	A74	A75	A76	A77	A78	A79	A80
N	R	M	A	S	L	A	I
A81	A82	A83	A84	A85	A86	A87	A88
A	E	D	R	K	S	S	T
A89	A90	A91	A92	A93	A94	A95	A96
L	I	L	H	R	A	T	L
A97	A98	A99	A100	A101	A102	A103	A104
R	D	A	A	V	Y	Y	C
A105	A106	A107	A108	A109	A110	A113	A114
T	V	Y	G	G	A	T	N
A115	A116	A117	A118	A119	A120	A121	A122
K	L	I	F	G	T	G	T
A123	A124	A125	A126	A127	A128
L	L	A	V	Q	P

CDR Sequences:

Loop	Sequence	Predicted canonical form	CDR Length
CDRB3	SARGGSYNSPLH	None	12
CDRB2	SNEGSKA	None	7
CDRB1	DFQATT	None	6
CDRA3	TVYGGATNKLI	None	11
CDRA2	GLTSN	None	5
CDRA1	TISGTDY	None	7

Orientation and docking angles:

Angle	Value
BC2	104.58°
BC1	69.75°
BA	-54.07°
AC2	87.97°
AC1	132.76°
dc	17.81Å
Docking angle	36.99°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
3t0e_DC	104.85°	71.10°	-52.97°	88.52°	133.53°	17.82Å	2.0
7sg2_ED	106.67°	69.23°	-53.38°	88.19°	132.97°	18.09Å	2.3
7sg1_ED	108.08°	69.88°	-51.96°	88.28°	133.28°	18.06Å	4.1
3pqy_JI	107.68°	69.73°	-56.20°	90.17°	132.20°	18.07Å	4.4
3pqy_TS	105.91°	69.89°	-57.66°	90.05°	131.38°	18.13Å	4.6

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