Details for 4qrp

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Structure information

Crystal Structure of Hla B*0801 in complex with Hskkkcdel and Dd31 TCR

Item	Info
PDB	4qrp
Organism	HOMO SAPIENS
Method	X-RAY DIFFRACTION
Resolution	2.9Å
Number of TCRs	3

Paired chains information

This PDB has 3 TCR(s).

E / D

TCR Details:

Item	Info
VB chain	E
VA chain	D
VB IMGT details	TRBV11/TRBJ1
VA IMGT details	TRAV9/TRAJ43
Species	human

Antigen Details:

Item	Info
Antigen Chain	C
Antigen Type	Peptide
Antigen Organism	HEPATITIS C VIRUS
Antigen Sequence	HSKKKCDEL
Antigen Length	9

MHC details:

Item	Info
MHC Chain	A \| B
MHC Type	MH1
MHC Species	human
MHC IMGT details	HLA-B*0801

Numbered sequence

Chain type

Chain ID

FASTA/Annotation file

IMGT numbered sequence (Framework/CDR)

FASTA file

B1	B2	B3	B4	B5	B6	B7	B8
E	A	G	V	A	Q	S	P
B9	B10	B11	B12	B13	B14	B15	B16
R	Y	K	I	I	E	K	R
B17	B18	B19	B20	B21	B22	B23	B24
Q	S	V	A	F	W	C	N
B25	B26	B27	B28	B29	B37	B38	B39
P	I	S	G	H	A	T	L
B40	B41	B42	B43	B44	B45	B46	B47
Y	W	Y	Q	Q	I	L	G
B48	B49	B50	B51	B52	B53	B54	B55
Q	G	P	K	L	L	I	Q
B56	B57	B58	B63	B64	B65	B66	B67
F	Q	N	N	G	V	V	D
B68	B69	B70	B71	B72	B73	B74	B75
D	S	Q	L	P	K	D	R
B76	B77	B78	B79	B80	B81	B83	B84
F	S	A	E	R	L	K	G
B85	B86	B87	B88	B89	B90	B91	B92
V	D	S	T	L	K	I	Q
B93	B94	B95	B96	B97	B98	B99	B100
P	A	K	L	E	D	S	A
B101	B102	B103	B104	B105	B106	B107	B108
V	Y	L	C	A	S	S	L
B109	B110	B111	B112	B113	B114	B115	B116
R	G	R	G	D	Q	P	Q
B117	B118	B119	B120	B121	B122	B123	B124
H	F	G	D	G	T	R	L
B125	B126	B127
S	I	L

FASTA file

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

CDR Sequences:

Loop	Sequence	Predicted canonical form	CDR Length
CDRB3	ASSLRGRGDQPQH	None	13
CDRB2	FQNNGV	None	6
CDRB1	SGHAT	None	5
CDRA3	ALSDPVNDMR	None	10
CDRA2	ATKADDK	None	7
CDRA1	ATGYPS	None	6

Orientation and docking angles:

Angle	Value
BC2	101.66°
BC1	74.29°
BA	-56.57°
AC2	79.64°
AC1	125.83°
dc	16.91Å
Docking angle	49.05°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
5iw1_FE	102.75°	72.60°	-57.69°	79.29°	125.17°	17.16Å	2.4
6jxr_nm	102.17°	73.31°	-56.70°	81.49°	124.59°	16.87Å	2.5
8gop_BA	103.32°	74.63°	-57.79°	80.90°	124.46°	16.51Å	2.8
7ea6_ED	102.04°	74.95°	-55.85°	77.35°	124.96°	16.22Å	2.8
5ksb_HG	100.64°	72.26°	-54.88°	80.22°	125.62°	16.39Å	2.9

Antibodies with similar orientations:

Antibody PDB	HC2	HC1	HL	LC2	LC1	dc	ABangle Distance
4yfl_HL	109.78°	73.75°	-56.79°	79.59°	122.71°	16.13Å	8.8
3mnw_BA	107.15°	71.13°	-53.34°	82.80°	121.51°	16.47Å	8.9
3bgf_BC	109.96°	71.90°	-55.10°	81.62°	123.51°	15.76Å	9.3
3mnz_BA	108.41°	71.26°	-53.27°	82.05°	121.70°	16.38Å	9.4

I / J

TCR Details:

Item	Info
VB chain	I
VA chain	J
VB IMGT details	TRBV11/TRBJ1
VA IMGT details	TRAV9/TRAJ43
Species	human

Antigen Details:

Item	Info
Antigen Chain	H
Antigen Type	Peptide
Antigen Organism	HEPATITIS C VIRUS
Antigen Sequence	HSKKKCDEL
Antigen Length	9

MHC details:

Item	Info
MHC Chain	F \| G
MHC Type	MH1
MHC Species	human
MHC IMGT details	HLA-B*0801

Numbered sequence

Chain type

Chain ID

FASTA/Annotation file

IMGT numbered sequence (Framework/CDR)

FASTA file

B1	B2	B3	B4	B5	B6	B7	B8
E	A	G	V	A	Q	S	P
B9	B10	B11	B12	B13	B14	B15	B16
R	Y	K	I	I	E	K	R
B17	B18	B19	B20	B21	B22	B23	B24
Q	S	V	A	F	W	C	N
B25	B26	B27	B28	B29	B37	B38	B39
P	I	S	G	H	A	T	L
B40	B41	B42	B43	B44	B45	B46	B47
Y	W	Y	Q	Q	I	L	G
B48	B49	B50	B51	B52	B53	B54	B55
Q	G	P	K	L	L	I	Q
B56	B57	B58	B63	B64	B65	B66	B67
F	Q	N	N	G	V	V	D
B68	B69	B70	B71	B72	B73	B74	B75
D	S	Q	L	P	K	D	R
B76	B77	B78	B79	B80	B81	B83	B84
F	S	A	E	R	L	K	G
B85	B86	B87	B88	B89	B90	B91	B92
V	D	S	T	L	K	I	Q
B93	B94	B95	B96	B97	B98	B99	B100
P	A	K	L	E	D	S	A
B101	B102	B103	B104	B105	B106	B107	B108
V	Y	L	C	A	S	S	L
B109	B110	B111	B112	B113	B114	B115	B116
R	G	R	G	D	Q	P	Q
B117	B118	B119	B120	B121	B122	B123	B124
H	F	G	D	G	T	R	L
B125	B126	B127
S	I	L

FASTA file

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

CDR Sequences:

Loop	Sequence	Predicted canonical form	CDR Length
CDRB3	ASSLRGRGDQPQH	None	13
CDRB2	FQNNGV	None	6
CDRB1	SGHAT	None	5
CDRA3	ALSDPVNDMR	None	10
CDRA2	ATKADDK	None	7
CDRA1	ATGYPS	None	6

Orientation and docking angles:

Angle	Value
BC2	100.97°
BC1	74.27°
BA	-58.85°
AC2	78.00°
AC1	124.47°
dc	16.72Å
Docking angle	50.26°

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
7ow6_ED	102.49°	72.80°	-58.89°	79.33°	124.44°	16.95Å	2.5
7ow5_ED	102.88°	72.70°	-58.86°	79.21°	125.23°	17.12Å	2.9
4pjc_FE	102.47°	72.37°	-59.74°	79.13°	123.72°	16.65Å	2.9
7pb2_JI	103.13°	73.39°	-57.79°	76.91°	125.64°	16.86Å	3.0
5iw1_FE	102.75°	72.60°	-57.69°	79.29°	125.17°	17.16Å	3.1

Antibodies with similar orientations:

Antibody PDB	HC2	HC1	HL	LC2	LC1	dc	ABangle Distance
4yfl_HL	109.78°	73.75°	-56.79°	79.59°	122.71°	16.13Å	9.4

L / K

TCR Details:

Item	Info
VB chain	L
VA chain	K
VB IMGT details	TRBV11/TRBJ1
VA IMGT details	TRAV9/TRAJ43
Species	human

Numbered sequence

Chain type

Chain ID

FASTA/Annotation file

IMGT numbered sequence (Framework/CDR)

FASTA file

B1	B2	B3	B4	B5	B6	B7	B8
E	A	G	V	A	Q	S	P
B9	B10	B11	B12	B13	B14	B15	B16
R	Y	K	I	I	E	K	R
B17	B18	B19	B20	B21	B22	B23	B24
Q	S	V	A	F	W	C	N
B25	B26	B27	B28	B29	B37	B38	B39
P	I	S	G	H	A	T	L
B40	B41	B42	B43	B44	B45	B46	B47
Y	W	Y	Q	Q	I	L	G
B48	B49	B50	B51	B52	B53	B54	B55
Q	G	P	K	L	L	I	Q
B56	B57	B58	B63	B64	B65	B66	B67
F	Q	N	N	G	V	V	D
B68	B69	B70	B71	B72	B73	B74	B75
D	S	Q	L	P	K	D	R
B76	B77	B78	B79	B80	B81	B83	B84
F	S	A	E	R	L	K	G
B85	B86	B87	B88	B89	B90	B91	B92
V	D	S	T	L	K	I	Q
B93	B94	B95	B96	B97	B98	B99	B100
P	A	K	L	E	D	S	A
B101	B102	B103	B104	B105	B106	B107	B108
V	Y	L	C	A	S	S	L
B109	B110	B111	B112	B113	B114	B115	B116
R	G	R	G	D	Q	P	Q
B117	B118	B119	B120	B121	B122	B123	B124
H	F	G	D	G	T	R	L
B125	B126	B127
S	I	L

FASTA file

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

CDR Sequences:

Loop	Sequence	Predicted canonical form	CDR Length
CDRB3	ASSLRGRGDQPQH	None	13
CDRB2	FQNNGV	None	6
CDRB1	SGHAT	None	5
CDRA3	ALSDPVNDMR	None	10
CDRA2	ATKADDK	None	7
CDRA1	ATGYPS	None	6

Orientation and docking angles:

Angle	Value
BC2	101.65°
BC1	74.60°
BA	-53.08°
AC2	81.91°
AC1	125.88°
dc	16.97Å

TCRs with similar orientations:

TCR PDB	BC2	BC1	BA	AC2	AC1	dc	TRangle Distance
7amp_BA	100.35°	72.19°	-53.62°	82.36°	125.70°	17.13Å	2.8
5ksb_HG	100.64°	72.26°	-54.88°	80.22°	125.62°	16.39Å	3.6
6vth_ED	102.44°	71.68°	-55.01°	83.15°	126.50°	17.31Å	3.9
7fjd_nm	101.57°	73.15°	-55.98°	81.85°	123.90°	17.77Å	3.9
1nfd_BA	102.62°	72.94°	-51.39°	79.73°	127.94°	16.91Å	3.9

Antibodies with similar orientations:

Antibody PDB	HC2	HC1	HL	LC2	LC1	dc	ABangle Distance
3mnw_BA	107.15°	71.13°	-53.34°	82.80°	121.51°	16.47Å	7.9
3mnz_BA	108.41°	71.26°	-53.27°	82.05°	121.70°	16.38Å	8.6
3bgf_BC	109.96°	71.90°	-55.10°	81.62°	123.51°	15.76Å	9.4
4ydl_HL	108.56°	70.76°	-54.72°	85.96°	123.49°	15.98Å	9.4
1fj1_DC	109.78°	71.11°	-51.69°	80.11°	123.02°	16.12Å	9.6

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