7RRG: Human 0606T1-2 TCR

Crystal structure of human 0606T1-2 TCR bound to HLA-A*03:01 in complex with a mutant PIK3CA peptide. Determined by X-ray diffraction at 2.12 Å resolution. Released 23 Mar 2022.

Method: X-ray diffraction
Resolution: 2.12 Å
Organism: Homo sapiens
Chains: 5
Atoms: 6,912
Mol. weight: 96.29 kDa
Released: 23 Mar 2022

Explore 7RRG in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7RRG contains 24 α-helices and 69 β-strands across 4 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 10 helices, 19 β-strands

Element	Residues	Length	Sheet
β-strand	3-12	10	1
α-helix	20	1
β-strand	21-28	8	1
β-strand	31-37	7	1
β-strand	46-47	2	1
α-helix	50-54	5
α-helix	57-84	28
β-strand	94-103	10	1
β-strand	109-118	10	1
β-strand	121-126	6	1
β-strand	133-135	3	1
α-helix	138-148	11
α-helix	152-158	7
α-helix	159-163	5
α-helix	164-174	11
α-helix	176-179	4
β-strand	183	1	2
α-helix	184-185	2
β-strand	186-192	7	3
β-strand	199-208	10	3
β-strand	209	1	2
β-strand	214-219	6	4
β-strand	222-223	2	4
β-strand	229-230	2	3
α-helix	231-233	3
β-strand	234-235	2	3
β-strand	241-249	9	3
β-strand	257-262	6	4
β-strand	270-273	4	4

Chain B: 2 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	3	1	5
α-helix	4-5	2
β-strand	6-11	6	6
β-strand	21-30	10	6
β-strand	31	1	5
β-strand	35-41	7	7
β-strand	44-45	2	7
β-strand	50-51	2	6
α-helix	52-54	3
β-strand	55-56	2	6
β-strand	62-70	9	6
β-strand	78-84	7	7
β-strand	91-94	4	7

Chain D: 3 helices, 16 β-strands

Element	Residues	Length	Sheet
β-strand	6	1	8
β-strand	10-14	5	9
β-strand	19-24	6	8
β-strand	33-39	7	9
β-strand	45-51	7	9
β-strand	56-57	2	8
β-strand	62-64	3	8
β-strand	71-76	6	8
α-helix	81-83	3
β-strand	85-92	8	9
α-helix	96-98	3
β-strand	102	1	10
β-strand	107-112	6	9
β-strand	121-127	7	11
β-strand	134-139	6	11
β-strand	157	1	11
α-helix	158-160	3
β-strand	161-165	5	11
β-strand	170-177	8	11

Chain E: 9 helices, 23 β-strands

Element	Residues	Length	Sheet
β-strand	6-8	3	12
β-strand	11-15	5	10
β-strand	20-25	6	12
β-strand	32-38	7	10
β-strand	45-51	7	10
β-strand	54-57	4	10
β-strand	66-69	4	12
β-strand	76-80	5	12
α-helix	85-87	3
β-strand	89-96	8	10
β-strand	105-106	2	10
β-strand	110-115	6	10
α-helix	118-120	3
β-strand	122	1	13
α-helix	123-124	2
β-strand	125	1	11
β-strand	129-130	2	11
α-helix	131-132	2
α-helix	133-139	7
β-strand	141-151	11	11
β-strand	152	1	13
β-strand	156-162	7	14
β-strand	166	1	14
β-strand	171-173	3	11
α-helix	177	1
β-strand	178-179	2	11
β-strand	189-198	10	11
α-helix	199-203	5
β-strand	209-215	7	14
α-helix	220-222	3
α-helix	229-230	2
β-strand	235-240	6	14

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
HLA class I histocompatibility antigen, A alpha chain	A	protein	274	Homo sapiens	P04439 (AlphaFold model)
Beta-2-microglobulin	B	protein	100	Homo sapiens	P61769 (AlphaFold model)
T cell receptor, alpha chain	D	protein	207	Homo sapiens
T cell receptor, beta chain	E	protein	245	Homo sapiens
Mutant PIK3CA peptide	C	protein	9	Homo sapiens	P42336 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7RRG_1 HLA class I histocompatibility antigen, A alpha chain (chains A)
GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYW
DQETRNVKAQSQTDRVDLGTLRGYYNQSEAGSHTIQIMYGCDVGSDGRFLRGYRQDAYDG
KDYIALNEDLRSWTAADMAAQITKRKWEAAHEAEQLRAYLDGTCVEWLRRYLENGKETLQ
RTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGT
FQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRW

Sequence of entity 2 (B), FASTA

>7RRG_2 Beta-2-microglobulin (chains B)
MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKD
WSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM

Sequence of entity 3 (D), FASTA

>7RRG_3 T cell receptor, alpha chain (chains D)
MLAKTTQPISMDSYEGQEVNITCSHNNIATNDYITWYQQFPSQGPRFIIQGYKTKVTNEV
ASLFIPADRKSSTLSLPRVSLSDTAVYYCLVGGAYTGGFKTIFGAGTRLFVKANIQNPDP
AVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDKCVLDMRSMDFKSNSAVAWSN
KSDFACANAFNNSIIPEDTFFPSPESS

Sequence of entity 4 (E), FASTA

>7RRG_4 T cell receptor, beta chain (chains E)
MEAGVAQSPRYKIIEKRQSVAFWCNPISGHATLYWYQQILGQGPKLLIQFQNNGVVDDSQ
LPKDRFSAERLKGVDSTLKIQPAKLEDSAVYLCASSLVAETYEQYFGPGTRLTVTEDLNK
VFPPEVAVFEPSEAEISHTQKATLVCLATGFFPDHVELSWWVNGKEVHSGVCTDPQPLKE
QPALNDSRYSLSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEA
WGRAD

Sequence of entity 5 (C), FASTA

>7RRG_5 Mutant PIK3CA peptide (chains C)
ALHGGWTTK

Primary citation

Immunogenicity and therapeutic targeting of a public neoantigen derived from mutated PIK3CA. Chandran, S.S., Ma, J., Klatt, M.G. et al. Nat Med (2022) 28:946-957. DOI 10.1038/s41591-022-01786-3 · PubMed

Other PDB entries of the same protein (UniProt P04439 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3MRE 1.1 Å, Crystal Structure of MHC class I HLA-A2 molecule complexed with EBV bmlf1-280-288…
3D25 1.3 Å, Crystal structure of HA-1 minor histocompatibility antigen bound to human class I MHC…
3MRG 1.3 Å, Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081…
6JOZ 1.35 Å, Crystal structure of BRLF peptide from EBV in complex with HLA-A1101.
5C0G 1.37 Å, HLA-A02 carrying YLGGPDFPTI
5N1Y 1.39 Å, HLA-A02 carrying MVWGPDPLYV
1I4F 1.4 Å, Crystal structure of HLA-A*0201/MAGE-A4-peptide complex
1OGA 1.4 Å, A structural basis for immunodominant human T-cell receptor recognition.
3MRB 1.4 Å, Crystal Structure of MHC class I HLA-A2 molecule complexed with HCMV pp65-495-503…
3MRK 1.4 Å, Crystal Structure of MHC class I HLA-A2 molecule complexed with AFP137 nonapeptide
6J2A 1.4 Å, The structure of HLA-A*3003/NP44
1X7Q 1.45 Å, Crystal structure of HLA-A*1101 with sars nucleocapsid peptide

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