Details for 2f54

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Structure information

Directed Evolution of Human T Cell Receptor Cdr2 Residues By Phage Display Dramatically Enhances affinity For Cognate Peptide-MHC without increasing apparent Cross-Reactivity

Item	Info
PDB	2f54
Organism	HOMO SAPIENS
Method	X-RAY DIFFRACTION
Resolution	2.7Å
Number of TCRs	2

Paired chains information

This PDB has 2 TCR(s).

E / D

TCR Details:

Item	Info
VB chain	E
VA chain	D
VB IMGT details	TRBV6/TRBJ2
VA IMGT details	TRAV21/TRAJ6
Species	human

Antigen Details:

Item	Info
Antigen Chain	C
Antigen Type	Peptide
Antigen Organism	SYNTHETIC CONSTRUCT
Antigen Sequence	SLLMWITQC
Antigen Length	9

MHC details:

Item	Info
MHC Chain	A \| B
MHC Type	MH1
MHC Species	human
MHC IMGT details	HLA-A*0201

Numbered sequence

Chain type

Chain ID

FASTA/Annotation file

IMGT numbered sequence (Framework/CDR)

FASTA file

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

FASTA file

A1	A2	A3	A4	A5	A6	A7	A8
K	Q	Q	V	T	Q	I	P
A9	A10	A11	A12	A13	A14	A15	A16
A	A	L	S	V	P	E	G
A17	A18	A19	A20	A21	A22	A23	A24
E	N	L	V	L	N	C	S
A25	A26	A27	A28	A29	A36	A37	A38
F	T	D	S	A	I	Y	N
A39	A40	A41	A42	A43	A44	A45	A46
L	Q	W	F	R	Q	D	P
A47	A48	A49	A50	A51	A52	A53	A54
G	G	K	L	T	S	L	L
A55	A56	A57	A58	A59	A63	A64	A65
L	I	Q	S	S	Q	R	E
A66	A67	A68	A74	A75	A76	A77	A78
Q	T	S	G	R	L	N	A
A79	A80	A81	A82	A83	A84	A85	A86
S	L	D	K	S	A	G	S
A87	A88	A89	A90	A91	A92	A93	A94
S	T	L	Y	I	A	A	S
A95	A96	A97	A98	A99	A100	A101	A102
Q	P	G	D	S	A	T	Y
A103	A104	A105	A106	A107	A108	A109	A110
L	C	A	V	R	P	T	S
A111	A112	A113	A114	A115	A116	A117	A118
G	G	S	Y	I	P	T	F
A119	A120	A121	A122	A123	A124	A125	A126
G	R	G	T	S	L	I	V
A127	A128
H	P

CDR Sequences:

Loop	Sequence	Predicted canonical form	CDR Length
CDRB3	ASSYVGNTGELF	None	12
CDRB2	SVGAGI	None	6
CDRB1	MNHEY	None	5
CDRA3	AVRPTSGGSYIPT	None	13
CDRA2	IQSSQRE	None	7
CDRA1	DSAIYN	None	6

Orientation and docking angles:

Angle	Value
BC2	98.01°
BC1	69.94°
BA	-45.79°
AC2	89.54°
AC1	123.82°
dc	17.23Å
Docking angle	66.93°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
2f53_ED	98.66°	70.55°	-45.38°	89.09°	123.08°	17.05Å	1.3
6q3s_ED	98.41°	70.06°	-44.57°	89.80°	124.11°	17.21Å	1.3
2bnq_ED	99.08°	70.19°	-46.99°	87.94°	123.48°	17.00Å	2.3
2p5e_ED	99.36°	69.92°	-44.56°	87.86°	123.35°	17.00Å	2.5
2p5w_ED	99.57°	70.45°	-44.08°	88.69°	123.18°	17.26Å	2.6

L / K

TCR Details:

Item	Info
VB chain	L
VA chain	K
VB IMGT details	TRBV6/TRBJ2
VA IMGT details	TRAV21/TRAJ6
Species	human

Antigen Details:

Item	Info
Antigen Chain	H
Antigen Type	Peptide
Antigen Organism	SYNTHETIC CONSTRUCT
Antigen Sequence	SLLMWITQC
Antigen Length	9

MHC details:

Item	Info
MHC Chain	F \| G
MHC Type	MH1
MHC Species	human
MHC IMGT details	HLA-A*0201

Numbered sequence

Chain type

Chain ID

FASTA/Annotation file

IMGT numbered sequence (Framework/CDR)

FASTA file

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

FASTA file

A1	A2	A3	A4	A5	A6	A7	A8
K	Q	Q	V	T	Q	I	P
A9	A10	A11	A12	A13	A14	A15	A16
A	A	L	S	V	P	E	G
A17	A18	A19	A20	A21	A22	A23	A24
E	N	L	V	L	N	C	S
A25	A26	A27	A28	A29	A36	A37	A38
F	T	D	S	A	I	Y	N
A39	A40	A41	A42	A43	A44	A45	A46
L	Q	W	F	R	Q	D	P
A47	A48	A49	A50	A51	A52	A53	A54
G	G	K	L	T	S	L	L
A55	A56	A57	A58	A59	A63	A64	A65
L	I	Q	S	S	Q	R	E
A66	A67	A68	A74	A75	A76	A77	A78
Q	T	S	G	R	L	N	A
A79	A80	A81	A82	A83	A84	A85	A86
S	L	D	K	S	A	G	S
A87	A88	A89	A90	A91	A92	A93	A94
S	T	L	Y	I	A	A	S
A95	A96	A97	A98	A99	A100	A101	A102
Q	P	G	D	S	A	T	Y
A103	A104	A105	A106	A107	A108	A109	A110
L	C	A	V	R	P	T	S
A111	A112	A113	A114	A115	A116	A117	A118
G	G	S	Y	I	P	T	F
A119	A120	A121	A122	A123	A124	A125	A126
G	R	G	T	S	L	I	V
A127	A128
H	P

CDR Sequences:

Loop	Sequence	Predicted canonical form	CDR Length
CDRB3	ASSYVGNTGELF	None	12
CDRB2	SVGAGI	None	6
CDRB1	MNHEY	None	5
CDRA3	AVRPTSGGSYIPT	None	13
CDRA2	IQSSQRE	None	7
CDRA1	DSAIYN	None	6

Orientation and docking angles:

Angle	Value
BC2	97.77°
BC1	70.00°
BA	-49.95°
AC2	86.54°
AC1	123.25°
dc	16.87Å
Docking angle	71.20°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
2bnr_ED	99.46°	70.52°	-47.45°	87.20°	123.24°	16.92Å	3.1
3axl_HG	99.51°	70.17°	-48.53°	88.24°	124.46°	17.11Å	3.1
3axl_BA	99.15°	70.16°	-47.82°	88.22°	124.38°	17.25Å	3.3
2bnq_ED	99.08°	70.19°	-46.99°	87.94°	123.48°	17.00Å	3.5
5euo_HG	99.86°	68.43°	-49.00°	82.87°	122.72°	17.43Å	4.7

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