6U3O: JR51 DQ2-p.aeru-alpha2a complex

JR51 DQ2-p.aeru-alpha2a complex. Determined by X-ray diffraction at 2.74 Å resolution. Released 18 Dec 2019.

Method: X-ray diffraction
Resolution: 2.74 Å
Organisms: Homo sapiens, Pseudomonas aeruginosa
Chains: 10
Atoms: 12,888
Mol. weight: 194.92 kDa
Released: 18 Dec 2019

Explore 6U3O in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6U3O contains 38 α-helices and 140 β-strands across 10 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, 16 β-strands

Element	Residues	Length	Sheet
β-strand	5	1	9
β-strand	10-14	5	10
β-strand	19-24	6	9
β-strand	38-44	7	10
β-strand	51-56	6	10
β-strand	66-67	2	9
β-strand	77-80	4	9
β-strand	86-91	6	9
α-helix	96-98	3
β-strand	100-107	8	10
β-strand	122-127	6	10
β-strand	136-142	7	11
β-strand	149-156	8	11
β-strand	170-172	3	11
α-helix	173-175	3
β-strand	176-180	5	11
β-strand	185-194	10	11
α-helix	209-211	3
β-strand	215	1	11

Chain B: 6 helices, 24 β-strands

Element	Residues	Length	Sheet
β-strand	5-7	3	12
β-strand	10-14	5	13
β-strand	19-24	6	12
α-helix	25-26	2
β-strand	38-44	7	13
β-strand	50-57	8	13
β-strand	64	1	13
β-strand	76-79	4	12
β-strand	87-91	5	12
α-helix	96-98	3
β-strand	100-107	8	13
α-helix	114-116	3
β-strand	117-118	2	13
β-strand	122-127	6	13
β-strand	134	1	14
β-strand	137-142	6	11
α-helix	143-144	2
α-helix	145-151	7
β-strand	153-163	11	11
β-strand	164	1	14
β-strand	168-174	7	15
β-strand	177-179	3	15
β-strand	183-185	3	11
β-strand	190-191	2	11
β-strand	201-210	10	11
α-helix	211-214	4
β-strand	220-227	8	15
β-strand	230	1	16
β-strand	244	1	16
β-strand	246-253	8	15

Chain C: 3 helices, 14 β-strands

Element	Residues	Length	Sheet
β-strand	5-14	11	17
β-strand	19-26	8	17
β-strand	29-35	7	17
β-strand	40-43	4	17
α-helix	46-50	5
β-strand	52	1	18
α-helix	56-76	21
α-helix	81-85	5
β-strand	88-93	6	19
β-strand	103-112	10	19
β-strand	118-123	6	20
β-strand	126-127	2	20
β-strand	132-134	3	19
β-strand	138-139	2	19
β-strand	145-153	9	19
β-strand	161-166	6	20
β-strand	174-178	5	20

Chains D and F: 7 helices, 15 β-strands

Element	Residues	Length	Sheet
β-strand	8-18	11	17
β-strand	23-32	10	17
β-strand	35-41	7	17
β-strand	46-49	4	17
α-helix	52-54	3
α-helix	55-62	8
α-helix	65-74	10
α-helix	75-80	6
α-helix	81-87	7
α-helix	90-92	3
β-strand	95	1	21
β-strand	98-103	6	22
β-strand	114-122	9	22
β-strand	123	1	21
β-strand	128-133	6	23
β-strand	136-137	2	23
β-strand	142-144	3	22
α-helix	145-147	3
β-strand	148-149	2	22
β-strand	155-162	8	22
β-strand	171-176	6	23
β-strand	184-188	5	23

Chain E: 3 helices, 14 β-strands

Element	Residues	Length	Sheet
β-strand	5-14	11	24
β-strand	19-26	8	24
β-strand	29-35	7	24
β-strand	40-43	4	24
α-helix	46-50	5
β-strand	52	1	25
α-helix	56-76	21
α-helix	81-85	5
β-strand	88-93	6	26
β-strand	103-112	10	26
β-strand	118-123	6	27
β-strand	126-128	3	27
β-strand	132-134	3	26
β-strand	138-139	2	26
β-strand	145-153	9	26
β-strand	161-166	6	27
β-strand	174-178	5	27

Chain G: 3 helices, 16 β-strands

Element	Residues	Length	Sheet
β-strand	5	1	1
β-strand	10-14	5	2
β-strand	19-24	6	1
β-strand	38-44	7	2
β-strand	51-56	6	2
β-strand	66-67	2	1
β-strand	77-80	4	1
β-strand	86-91	6	1
α-helix	96-98	3
β-strand	100-107	8	2
β-strand	122-127	6	2
β-strand	136-142	7	3
β-strand	149-154	6	3
β-strand	171-172	2	3
α-helix	173-175	3
β-strand	176-180	5	3
α-helix	181-183	3
β-strand	185-193	9	3
β-strand	215	1	3

Chain H: 6 helices, 24 β-strands

Element	Residues	Length	Sheet
β-strand	5-7	3	4
β-strand	10-14	5	5
β-strand	19-24	6	4
α-helix	25-26	2
β-strand	38-44	7	5
β-strand	50-57	8	5
β-strand	64-67	4	5
β-strand	76-79	4	4
β-strand	87-91	5	4
α-helix	96-98	3
β-strand	100-107	8	5
α-helix	114-116	3
β-strand	117-118	2	5
β-strand	122-127	6	5
β-strand	134	1	6
β-strand	137-142	6	3
α-helix	143-144	2
α-helix	145-151	7
β-strand	153-163	11	3
β-strand	164	1	6
β-strand	168-174	7	7
β-strand	177-179	3	7
β-strand	183-185	3	3
β-strand	190-191	2	3
β-strand	201-210	10	3
α-helix	211-214	4
β-strand	220-227	8	7
β-strand	230	1	8
β-strand	244	1	8
β-strand	246-253	8	7

Chains I and J: 0 helices, 1 β-strand

Element	Residues	Length	Sheet
β-strand	2	1	25

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
T-CELL RECEPTOR, JR5.1 alpha	A, G	protein	202	Homo sapiens
T-CELL RECEPTOR, JR5.1 beta	B, H	protein	244	Homo sapiens
MHC class II HLA-DQ-alpha chain	C, E	protein	191	Homo sapiens	O19705 (AlphaFold model)
MHC class II HLA-DQ-beta-1	D, F	protein	206	Homo sapiens	O19712 (AlphaFold model)
Peptide	I, J	protein	20	Pseudomonas aeruginosa	Q9HX82 (AlphaFold model)

Sequence of entity 1 (A, G), FASTA

>6U3O_1 T-CELL RECEPTOR, JR5.1 alpha (chains A, G)
MKTTQPPSMDCAEGRAANLPCNHSTISGNEYVYWYRQIHSQGPQYIIHGLKNNETNEMAS
LIITEDRKSSTLILPHATLRDTAVYYCIAFQGAQKLVFGQGTRLTINPNIQNPDPAVYQL
RDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDKCVLDMRSMDFKSNSAVAWSNKSDFA
CANAFNNSIIPEDTFFPSPESS

Sequence of entity 2 (B, H), FASTA

>6U3O_2 T-CELL RECEPTOR, JR5.1 beta (chains B, H)
MGVSQSPSNKVTEKGKDVELRCDPISGHTALYWYRQSLGQGLEFLIYFQGNSAPDKSGLP
SDRFSAERTGGSVSTLTIQRTQQEDSAVYLCASSFRALAADTQYFGPGTRLTVLEDLKNV
FPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWWVNGKEVHSGVCTDPQPLKEQ
PALNDSRYALSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAW
GRAD

Sequence of entity 3 (C, E), FASTA

>6U3O_3 MHC class II HLA-DQ-alpha chain (chains C, E)
EDIVADHVASYGVNLYQSYGPSGQYTHEFDGDEQFYVDLGRKETVWSLPVLRQFRFDPQF
ALTNIAVLKHNLNSLIKRSNSTAATNEVPEVTVFSKSPVTLGQPNILICLVDNIFPPVVN
ITWLSNGHSVTEGVSETSFLSKSDHSFFKISYLTLLPSAEESYDCKVEHWGLDKPLLKHW
EPETSGDDDDK

Sequence of entity 4 (D, F), FASTA

>6U3O_4 MHC class II HLA-DQ-beta-1 (chains D, F)
GGSGASRDSPEDFVYQFKGMCYFTNGTERVRLVSRSIYNREEIVRFDSDVGEFRAVTLLG
LPAAEYWNSQKDILERKRAAVDRVCRHNYQLELRTTLQRRVEPTVTISPSRTEALNHHNL
LVCSVTDFYPAQIKVRWFRNDQEETAGVVSTPLIRNGDWTFQILVMLEMTPQRGDVYTCH
VEHPSLQSPITVEWRAQSTGGDDDDK

Sequence of entity 5 (I, J), FASTA

>6U3O_5 Peptide (chains I, J)
AVVQSELPYPEGSGGSIEGR

Primary citation

T cell receptor cross-reactivity between gliadin and bacterial peptides in celiac disease. Petersen, J., Ciacchi, L., Tran, M.T. et al. Nat Struct Mol Biol (2020) 27:49-61. DOI 10.1038/s41594-019-0353-4 · PubMed

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