8RYN: S2 TCR

Structure of S2 TCR in complex with HLA-A*11:01 bound to ELFSYLIEK peptide. Determined by X-ray diffraction at 1.97 Å resolution. Released 4 Sept 2024.

Method: X-ray diffraction
Resolution: 1.97 Å
Organism: Homo sapiens
Chains: 5
Atoms: 6,767
Mol. weight: 94.08 kDa
Released: 4 Sept 2024

Explore 8RYN in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8RYN contains 27 α-helices and 75 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: 11 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	50-52	3
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	138-149	12
α-helix	152-161	10
α-helix	163-174	12
α-helix	176-179	4
β-strand	183	1	2
α-helix	184-185	2
β-strand	186-193	8	3
β-strand	198-208	11	3
β-strand	209	1	2
β-strand	214-219	6	4
β-strand	222-223	2	4
α-helix	225-227	3
β-strand	229-230	2	3
α-helix	231-233	3
β-strand	234-235	2	3
β-strand	241-250	10	3
α-helix	254-256	3
β-strand	257-262	6	4
β-strand	270-272	3	4

Chain B: 4 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	36-41	6	7
β-strand	44-45	2	7
α-helix	46	1
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	78-83	6	7
α-helix	90	1
β-strand	91-94	4	7

Chain D: 4 helices, 19 β-strands

Element	Residues	Length	Sheet
β-strand	5-6	2	8
β-strand	11-15	5	9
β-strand	20-26	7	8
β-strand	33-39	7	9
β-strand	46-52	7	9
β-strand	57-60	4	8
β-strand	63-66	4	8
β-strand	68	1	8
β-strand	73-78	6	8
α-helix	83-85	3
β-strand	87-94	8	9
β-strand	101-102	2	9
β-strand	106-111	6	9
α-helix	112-113	2
β-strand	120-125	6	10
β-strand	126	1	11
β-strand	133-138	6	10
β-strand	146	1	12
α-helix	147-149	3
β-strand	154-156	3	10
β-strand	173-178	6	10
α-helix	185-187	3
β-strand	191	1	12

Chain E: 8 helices, 26 β-strands

Element	Residues	Length	Sheet
β-strand	5-8	4	13
β-strand	11-15	5	14
β-strand	20-22	3	15
β-strand	23-26	4	13
β-strand	32-38	7	14
β-strand	44-52	9	14
β-strand	55-58	4	14
β-strand	66-67	2	15
β-strand	74	1	13
β-strand	77-79	3	15
α-helix	84-86	3
β-strand	88-95	8	14
β-strand	105-106	2	14
β-strand	110-115	6	14
α-helix	118-120	3
β-strand	122	1	16
α-helix	123-124	2
β-strand	125-129	5	11
α-helix	130-132	3
α-helix	133-139	7
β-strand	141-151	11	11
β-strand	152	1	16
β-strand	156-162	7	17
β-strand	165-167	3	17
β-strand	171-173	3	11
α-helix	177	1
β-strand	178-179	2	11
β-strand	189-198	10	11
α-helix	199-202	4
β-strand	208-215	8	17
β-strand	218	1	18
α-helix	229-230	2
β-strand	232	1	18
β-strand	234-241	8	17

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
MHC class I antigen	A	protein	276	Homo sapiens	A0A583ZB34 (AlphaFold model)
Beta-2-microglobulin	B	protein	100	Homo sapiens	P61769 (AlphaFold model)
ELFSYLIEK peptide	C	protein	9	Homo sapiens
TCR alpha	D	protein	198	Homo sapiens
TCR beta	E	protein	245	Homo sapiens

Sequence of entity 1 (A), FASTA

>8RYN_1 MHC class I antigen (chains A)
GSHSMRYFYTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYW
DQETRNVKAQSQTDRVDLGTLRGYYNQSEDGSHTIQIMYGCDVGPDGRFLRGYRQDAYDG
KDYIALNEDLRSWTAADMAAQITKRKWEAAHAAEQQRAYLEGRCVEWLRRYLENGKETLQ
RTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGT
FQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEP

Sequence of entity 2 (B), FASTA

>8RYN_2 Beta-2-microglobulin (chains B)
MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKD
WSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM

Sequence of entity 3 (C), FASTA

>8RYN_3 ELFSYLIEK peptide (chains C)
ELFSYLIEK

Sequence of entity 4 (D), FASTA

>8RYN_4 TCR alpha (chains D)
MAQEVTQIPAALSVPEGENLVLNCSFTDSAIYNLQWFRQDPGKGLTSLLLIQSSQREQTS
GRLNASLDKSSGRSTLYIAASQPGDSATYLCAVNNAGNMLTFGGGTRLMVKPHIQNPDPA
VYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDKCVLDMRSMDFKSNSAVAWSNK
SDFACANAFNNSIIPEDT

Sequence of entity 5 (E), FASTA

>8RYN_5 TCR beta (chains E)
MNAGVTQTPKFRILKIGQSMTLQCTQDMNHNYMYWYRQDPGMGLKLIYYSVGAGITDKGE
VPNGYNVSRSTTEDFPLRLESAAPSQTSVYFCASSETRGAPYGYTFGSGTRLTVVEDLNK
VFPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWWVNGKEVHSGVCTDPQPLKE
QPALNDSRYALSSRLRVSATFWQDPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEA
WGRAD

Primary citation

Broadening alloselectivity of T cell receptors by structure guided engineering. Karuppiah, V., Sangani, D., Whaley, L. et al. Sci Rep (2024) 14:26851-26851. DOI 10.1038/s41598-024-75140-7 · PubMed

Other PDB entries of the same protein (UniProt A0A583ZB34 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7OW4 1.81 Å, Crystal structure of HLA-A*11:01 in complex with KRAS G12D peptide (VVVGADGVGK)
8WTE 2.17 Å, Crystal structure of TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide…
8WUL 2.36 Å, Crystal structure of affinity enhanced TCR in complex with HLA-A*11:01 bound to…
7OW3 2.46 Å, Crystal structure of HLA-A*11:01 in complex with KRAS peptide (VVVGAGGVGK)
8RYQ 2.49 Å, Structure of S8-9F3 TCR in complex with HLA-A*11:01 bound to ELFSYLIEK peptide
7OW5 2.58 Å, Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVVGAGGVGK)
7OW6 2.64 Å, Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS G12D peptide…
7PB2 3.41 Å, Crystal structure of JDI TCR in complex with HLA-A*11:01 bound to KRAS G12D peptide…

Browse structure collections

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