5U6Q: Human MR1-3-F-SA

Structure of human MR1-3-F-SA in complex with human MAIT A-F7 TCR. Determined by X-ray diffraction at 1.9 Å resolution. Released 8 Feb 2017.

Method: X-ray diffraction
Resolution: 1.9 Å
Organism: Homo sapiens
Chains: 8
Atoms: 14,317
Mol. weight: 187.88 kDa
Ligands: 7ZS
Released: 8 Feb 2017

Explore 5U6Q in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5U6Q contains 49 α-helices and 147 β-strands across 8 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: 8 helices, 19 β-strands

Element	Residues	Length	Sheet
β-strand	3-12	10	18
β-strand	22-28	7	18
β-strand	31-37	7	18
β-strand	44-45	2	18
α-helix	48-51	4
α-helix	56-84	29
β-strand	91-100	10	18
β-strand	106-114	9	18
β-strand	117-123	7	18
β-strand	128-131	4	18
α-helix	134-144	11
α-helix	147-155	9
α-helix	156-160	5
α-helix	161-171	11
α-helix	173-176	4
β-strand	180	1	19
α-helix	181-182	2
β-strand	183-190	8	20
β-strand	196-205	10	20
β-strand	206	1	19
β-strand	211-216	6	21
β-strand	219-220	2	21
β-strand	226-227	2	20
β-strand	231-232	2	20
β-strand	238-245	8	20
β-strand	254-260	7	21
β-strand	263-268	6	21

Chain B: 5 helices, 18 β-strands

Element	Residues	Length	Sheet
β-strand	3-5	3	22
β-strand	9-13	5	23
β-strand	18-25	8	22
β-strand	32-37	6	23
β-strand	44-49	6	23
β-strand	53-57	5	22
β-strand	60-65	6	22
β-strand	70-75	6	22
α-helix	80-82	3
β-strand	84-91	8	23
α-helix	96	1
β-strand	97-99	3	23
α-helix	100	1
β-strand	103-108	6	23
β-strand	117-121	5	24
β-strand	122-123	2	25
β-strand	131-135	5	24
α-helix	143-145	3
β-strand	151-153	3	24
α-helix	154-156	3
β-strand	157-161	5	24
β-strand	166-175	10	24
β-strand	196	1	24

Chain C: 10 helices, 19 β-strands

Element	Residues	Length	Sheet
β-strand	3-12	10	1
β-strand	22-28	7	1
β-strand	31-37	7	1
β-strand	44-45	2	1
α-helix	48-51	4
α-helix	56-84	29
β-strand	91-100	10	1
β-strand	106-114	9	1
β-strand	117-123	7	1
β-strand	128-131	4	1
α-helix	134-144	11
α-helix	147-155	9
α-helix	156-160	5
α-helix	161-171	11
α-helix	173-176	4
β-strand	180	1	2
α-helix	181-182	2
β-strand	183-186	4	3
β-strand	198-205	8	3
β-strand	206	1	2
β-strand	211-216	6	4
β-strand	219-220	2	4
α-helix	222-224	3
β-strand	225-227	3	3
α-helix	228-230	3
β-strand	231-232	2	3
β-strand	238-244	7	3
β-strand	254-260	7	4
β-strand	263-268	6	4

Chain D: 6 helices, 17 β-strands

Element	Residues	Length	Sheet
β-strand	3-5	3	5
β-strand	9-13	5	6
β-strand	18-25	8	5
β-strand	32-37	6	6
β-strand	44-49	6	6
β-strand	53-57	5	5
β-strand	60-65	6	5
β-strand	70-75	6	5
α-helix	80-82	3
β-strand	84-91	8	6
β-strand	97-99	3	6
β-strand	103-108	6	6
β-strand	117-120	4	7
α-helix	121-124	4
β-strand	130-135	6	7
α-helix	143-146	4
β-strand	151-153	3	7
α-helix	154-156	3
β-strand	157-161	5	7
α-helix	162-164	3
β-strand	166-175	10	7
α-helix	182-185	4
β-strand	196	1	7

Chain E: 8 helices, 26 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	8
β-strand	10-14	5	9
β-strand	19-21	3	10
β-strand	22-25	4	8
β-strand	31-37	7	9
β-strand	44-51	8	9
β-strand	54-57	4	9
β-strand	65-68	4	10
β-strand	73	1	8
β-strand	74-78	5	10
α-helix	83-85	3
β-strand	87-94	8	9
α-helix	102-104	3
β-strand	105-106	2	9
β-strand	110-115	6	9
α-helix	118-120	3
β-strand	122	1	11
α-helix	123-124	2
β-strand	125-129	5	12
α-helix	130-132	3
α-helix	133-139	7
β-strand	141-151	11	12
β-strand	152	1	11
β-strand	156-162	7	13
β-strand	165-167	3	13
β-strand	171-173	3	12
α-helix	177	1
β-strand	178-179	2	12
β-strand	189-198	10	12
α-helix	199-202	4
β-strand	208-215	8	13
β-strand	218	1	14
β-strand	232	1	14
β-strand	234-241	8	13

Chain F: 2 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	3	1	15
α-helix	4-5	2
β-strand	6-11	6	16
β-strand	21-30	10	16
β-strand	31	1	15
β-strand	36-41	6	17
β-strand	44-45	2	17
β-strand	50-51	2	16
β-strand	55-56	2	16
β-strand	62-70	9	16
β-strand	78-83	6	17
β-strand	91-94	4	17
α-helix	95-96	2

Chain G: 7 helices, 26 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	26
β-strand	10-14	5	27
β-strand	19-21	3	28
β-strand	22-25	4	26
β-strand	31-37	7	27
β-strand	44-51	8	27
β-strand	54-57	4	27
β-strand	64-68	5	28
β-strand	73	1	26
β-strand	74-78	5	28
α-helix	83-85	3
β-strand	87-94	8	27
α-helix	102-104	3
β-strand	105-106	2	27
β-strand	110-115	6	27
β-strand	122	1	29
α-helix	123-124	2
β-strand	125-130	6	25
α-helix	131-132	2
α-helix	133-139	7
β-strand	141-151	11	25
β-strand	152	1	29
β-strand	156-162	7	30
β-strand	165-167	3	30
β-strand	171-173	3	25
β-strand	178-179	2	25
β-strand	189-198	10	25
α-helix	199-202	4
β-strand	210-215	6	30
β-strand	218	1	31
α-helix	229-230	2
β-strand	232	1	31
β-strand	234-239	6	30

Chain H: 3 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	3	1	32
α-helix	4-5	2
β-strand	6-11	6	33
β-strand	21-30	10	33
β-strand	31	1	32
β-strand	36-41	6	34
β-strand	44-45	2	34
β-strand	50-51	2	33
α-helix	52-54	3
β-strand	55-56	2	33
β-strand	62-70	9	33
β-strand	78-83	6	34
β-strand	91-94	4	34
α-helix	95	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Major histocompatibility complex class I-related gene protein	A, C	protein	271	Homo sapiens	Q95460 (AlphaFold model)
MAIT T-cell receptor alpha chain	B, D	protein	203	Homo sapiens
MAIT T-cell receptor beta chain	E, G	protein	245	Homo sapiens
Beta-2-microglobulin	F, H	protein	99	Homo sapiens	P61769 (AlphaFold model)

Sequence of entity 1 (A, C), FASTA

>5U6Q_1 Major histocompatibility complex class I-related gene protein (chains A, C)
MRTHSLRYFRLGVSDPIHGVPEFISVGYVDSHPITTYDSVTRQKEPRAPWMAENLAPDHW
ERYTQLLRGWQQMFKVELKRLQRHYNHSGSHTYQRMIGCELLEDGSTTGFLQYAYDGQDF
LIFNKDTLSWLAVDNVAHTIKQAWEANQHELLYQKNWLEEECIAWLKRFLEYGKDTLQRT
EPPLVRVNRKETFPGVTALFCKAHGFYPPEIYMTWMKNGEEIVQEIDYGDILPSGDGTYQ
AWASIELDPQSSNLYSCHVEHSGVHMVLQVP

Sequence of entity 2 (B, D), FASTA

>5U6Q_2 MAIT T-cell receptor alpha chain (chains B, D)
GQNIDQPTEMTATEGAIVQINCTYQTSGFNGLFWYQQHAGEAPTFLSYNVLDGLEEKGRF
SSFLSRSKGYSYLLLKELQMKDSASYLCAVKDSNYQLIWGAGTKLIIKPDIQNPDPAVYQ
LRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDKCVLDMRSMDFKSNSAVAWSNKSDF
ACANAFNNSIIPEDTFFPSPESS

Sequence of entity 3 (E, G), FASTA

>5U6Q_3 MAIT T-cell receptor beta chain (chains E, G)
NAGVTQTPKFQVLKTGQSMTLQCAQDMNHNSMYWYRQDPGMGLRLIYYSASEGTTDKGEV
PNGYNVSRLNKREFSLRLESAAPSQTSVYFCASSVWTGEGSGELFFGEGSRLTVLEDLKN
VFPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWWVNGKEVHSGVCTDPQPLKE
QPALNDSRYALSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEA
WGRAD

Sequence of entity 4 (F, H), FASTA

>5U6Q_4 Beta-2-microglobulin (chains F, H)
IQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDW
SFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM

Ligands and cofactors

ID	Name	Formula	Copies
7ZS	3-methanoyl-2-oxidanyl-benzoic acid	C8 H6 O4	2

Water and common crystallization additives (ACT, NA, GOL) are not listed.

Primary citation

Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells. Keller, A.N., Eckle, S.B., Xu, W. et al. Nat Immunol (2017) 18:402-411. DOI 10.1038/ni.3679 · PubMed

Other PDB entries of the same protein (UniProt Q95460 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6PUD 1.8 Å, Structure of human MAIT A-F7 TCR in complex with human MR1-5'OH-Pentyl-5-OP-U
6PUG 1.8 Å, Structure of human MAIT A-F7 TCR in complex with human MR1-2`OH-Ethyl-5-OP-U
6PUL 1.84 Å, Structure of human MAIT A-F7 TCR in complex with human MR1 3'D-5-OP-RU
7ZT7 1.84 Å, Structure of E8 TCR in complex in human MR1 bound to 5FSA
6PUC 1.85 Å, Structure of human MAIT A-F7 TCR in complex with human MR1-5-OP-RU
6PUH 1.88 Å, Structure of human MAIT A-F7 TCR in complex with human MR1-Ribityl-less
6W9U 1.89 Å, Structure of human MAIT A-F7 TCR in complex with patient MR1-R9H-Ac-6-FP
4L4V 1.9 Å, Structure of human MAIT TCR in complex with human MR1-RL-6-Me-7-OH
6PUE 1.9 Å, Structure of human MAIT A-F7 TCR in complex with human MR1-4'D-5-OP-RU
6PUF 1.92 Å, Structure of human MAIT A-F7 TCR in complex with human MR1-5'D-5-OP-RU
6PUJ 1.92 Å, Structure of human MAIT A-F7 TCR in complex with human MR1-3`OH-Propyl-5-OP-U
4PJE 1.95 Å, Structure of human MR1-Ac-6-FP in complex with human MAIT B-B10 TCR

Browse structure collections

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