4IIQ: Human MAIT TCR

Crystal structure of a human MAIT TCR in complex with bovine MR1. Determined by X-ray diffraction at 2.86 Å resolution. Released 24 Apr 2013.

Method: X-ray diffraction
Resolution: 2.86 Å
Organisms: Homo sapiens, Bos taurus
Chains: 3
Atoms: 6,307
Mol. weight: 96.85 kDa
Released: 24 Apr 2013

Explore 4IIQ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4IIQ contains 21 α-helices and 77 β-strands across 3 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: 3 helices, 19 β-strands

Element	Residues	Length	Sheet
β-strand	3-5	3	1
β-strand	9-13	5	2
β-strand	18-25	8	1
β-strand	32-37	6	2
β-strand	44-49	6	2
β-strand	53-57	5	1
β-strand	60-65	6	1
β-strand	70-75	6	1
α-helix	80-82	3
β-strand	85-91	7	2
β-strand	97-99	3	2
α-helix	100-102	3
β-strand	103-108	6	2
β-strand	117-120	4	3
α-helix	121-123	3
β-strand	130-135	6	3
β-strand	142	1	4
β-strand	151-154	4	3
β-strand	158-159	2	5
β-strand	171-176	6	3
β-strand	191	1	4
β-strand	197	1	3

Chain B: 8 helices, 26 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	6
β-strand	10-14	5	7
β-strand	19-21	3	8
β-strand	22-25	4	6
β-strand	31-37	7	7
β-strand	44-51	8	7
β-strand	54-57	4	7
β-strand	65-68	4	8
β-strand	73	1	6
β-strand	74-78	5	8
α-helix	83-85	3
β-strand	87-94	8	7
α-helix	102-104	3
β-strand	105-106	2	7
β-strand	110-115	6	7
β-strand	122	1	9
α-helix	123-124	2
β-strand	125-129	5	5
α-helix	130-132	3
α-helix	133-139	7
β-strand	141-151	11	5
β-strand	152	1	9
β-strand	156-162	7	10
β-strand	165-167	3	10
β-strand	171-173	3	5
α-helix	177	1
β-strand	178-179	2	5
β-strand	189-198	10	5
α-helix	199-202	4
β-strand	208-215	8	10
β-strand	218	1	11
α-helix	229-230	2
β-strand	232	1	11
β-strand	234-241	8	10

Chain C: 10 helices, 32 β-strands

Element	Residues	Length	Sheet
β-strand	3	1	12
α-helix	4-5	2
β-strand	6-11	6	13
β-strand	21	1	14
β-strand	23-30	8	13
β-strand	31	1	12
β-strand	35-41	7	15
β-strand	44-46	3	15
β-strand	48-50	3	13
β-strand	54-55	2	13
β-strand	61-67	7	13
β-strand	70	1	14
β-strand	77-83	7	15
β-strand	90-93	4	15
β-strand	116-125	10	16
β-strand	135-141	7	16
β-strand	144-150	7	16
β-strand	157-158	2	16
α-helix	161-164	4
α-helix	169-196	28
β-strand	204-213	10	16
β-strand	219-227	9	16
β-strand	230-236	7	16
β-strand	241-244	4	16
α-helix	249-258	10
α-helix	260-268	9
α-helix	269-273	5
α-helix	274-284	11
α-helix	286-289	4
β-strand	293	1	17
α-helix	294-295	2
β-strand	296-301	6	18
β-strand	310-318	9	18
β-strand	319	1	17
β-strand	324-329	6	19
β-strand	332-333	2	19
α-helix	334	1
β-strand	338-339	2	18
β-strand	344-345	2	18
β-strand	351-358	8	18
β-strand	367-372	6	19
β-strand	377-383	7	19

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Human Mucosal Associated Invariant T cell receptor alpha chain	A	protein	205	Homo sapiens	Q6P4G7 (AlphaFold model)
Human Mucosal Associated Invariant T cell receptor beta chain	B	protein	253	Homo sapiens	P01850 (AlphaFold model)
Beta-2-microglobulin, MHC class I-related protein	C	protein	392	Bos taurus	C1ITJ8 (AlphaFold model), P01888 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4IIQ_1 Human Mucosal Associated Invariant T cell receptor alpha chain (chains A)
MAGQNIDQPTEMTATEGAIVQINCTYQTSGFNGLFWYQQHAGEAPTFLSYNVLDGLEEKG
RFSSFLSRSKGYSYLLLKELQMKDSASYLCAVKDSNYQLIWGAGTKLIIKPNIQNPDPAV
YQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDKCVLDMRSMDFKSNSAVAWSNKS
DFACANAFNNSIIPEDTFFPSPESS

Sequence of entity 2 (B), FASTA

>4IIQ_2 Human Mucosal Associated Invariant T cell receptor beta chain (chains B)
MANAGVTQTPKFQVLKTGQSMTLQCAQDMNHNSMYWYRQDPGMGLRLIYYSASEGTTDKG
EVPNGYNVSRLNKREFSLRLESAAPSQTSVYFCASSVWTGEGSGELFFGEGSRLTVLEDL
KNVFPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWWVNGKEVHSGVCTDPQPL
KEQPALNDSRYALSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSA
EAWGRADSAAALE

Sequence of entity 3 (C), FASTA

>4IIQ_3 Beta-2-microglobulin, MHC class I-related protein (chains C)
IQRPPKIQVYSRHPPEDGKPNYLNCYVYGFHPPQIEIDLLKNGEKIKSEQSDLSFSKDWS
FYLLSHAEFTPNSKDQYSCRVKHVTLEQPRIVKWDRDLGGGGSGGSGSGGGGSRTHSLRY
FRLGISEPGYGIPEFISAGYVDSHPITMYNSVSQLXEPRALWMEENLAPDHWERYTQLLR
GWQQAFKVELKQLQHHYNHSGFHTYQRMIGCELLEDGSITGFLQYAYDGQDFLIFNKDTL
SWMAMDNVADIIRRVWEANRHELQYQKNWLEEECIAWLKRFLEYGKDALQRTEPPKVRVN
HKETFPGITTLYCRAYGFYPPEISINWMKNGEEIFQDTDYGGILPSGDGTYQTWVSVELD
PQNGDIYSCHVEHGGVHMVLQGFQESETILGG

Primary citation

The molecular basis for Mucosal-Associated Invariant T cell recognition of MR1 proteins. Lopez-Sagaseta, J., Dulberger, C.L., Crooks, J.E. et al. Proc Natl Acad Sci U S A (2013) 110:E1771-E1778. DOI 10.1073/pnas.1222678110 · PubMed

Other PDB entries of the same protein (UniProt Q6P4G7 (AlphaFold model), which also has an AlphaFold model), best resolution first:

2NW2 1.4 Å, Crystal structure of ELS4 TCR at 1.4A
4L4V 1.9 Å, Structure of human MAIT TCR in complex with human MR1-RL-6-Me-7-OH
4NQE 2.1 Å, Crystal structure of TCR-MR1 ternary complex bound to 5-(2-oxoethylideneamino)-6-D-ribity…
4NQD 2.2 Å, Crystal structure of TCR-MR1 ternary complex and non-covalently bound…
4LCW 2.4 Å, The structure of human MAIT TCR in complex with MR1-K43A-RL-6-Me-7OH
4NQC 2.5 Å, Crystal structure of TCR-MR1 ternary complex and covalently bound…
9C42 2.69 Å, Structure of human MR1-ellagic acid in complex with human MAIT A-F7 TCR
5WKI 2.75 Å, Crystal structure of PG90 TCR-CD1b-PG complex
4L8S 2.9 Å, Crystal structure of a human Valpha7.2/Vbeta13.3 MAIT TCR in complex with bovine MR1
4LCC 3.26 Å, Crystal structure of a human MAIT TCR in complex with a bacterial antigen bound to…
4L9L 3.4 Å, Crystal structure of a human Valpha7.2/Vbeta13.2 MAIT TCR in complex with bovine MR1

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