4OZH: S16 protein complex

S16 protein complex. Determined by X-ray diffraction at 2.8 Å resolution. Released 16 Apr 2014.

Method: X-ray diffraction
Resolution: 2.8 Å
Organisms: Homo sapiens, Triticum aestivum
Chains: 10
Atoms: 12,818
Mol. weight: 194.17 kDa
Ligands: CA, NAG
Released: 16 Apr 2014

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

Secondary structure: helices and β-sheets

4OZH contains 48 α-helices and 137 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, 13 β-strands

Element	Residues	Length	Sheet
β-strand	5-14	11	1
β-strand	19-26	8	1
β-strand	29-35	7	1
β-strand	40-43	4	1
α-helix	47-50	4
α-helix	57-77	21
α-helix	81-87	7
β-strand	88-93	6	2
β-strand	103-112	10	2
β-strand	118-123	6	3
β-strand	126-128	3	3
β-strand	132-134	3	2
β-strand	138-139	2	2
β-strand	145-153	9	2
β-strand	161-166	6	3
β-strand	174-178	5	3

Chain B: 5 helices, 15 β-strands

Element	Residues	Length	Sheet
β-strand	8-18	11	1
β-strand	23-31	9	1
β-strand	36-41	6	1
β-strand	46-49	4	1
α-helix	52-54	3
α-helix	55-63	9
α-helix	65-74	10
α-helix	75-79	5
α-helix	80-86	7
β-strand	95	1	4
β-strand	98-103	6	5
β-strand	114-122	9	5
β-strand	123	1	4
β-strand	128-133	6	6
β-strand	136-138	3	6
β-strand	142-144	3	5
β-strand	148-149	2	5
β-strand	155-162	8	5
β-strand	170-176	7	6
β-strand	184-189	6	6

Chain C: 3 helices, 13 β-strands

Element	Residues	Length	Sheet
β-strand	5-14	11	7
β-strand	19-26	8	7
β-strand	29-35	7	7
β-strand	40-43	4	7
α-helix	47-50	4
α-helix	57-76	20
α-helix	81-84	4
β-strand	88-93	6	8
β-strand	103-112	10	8
β-strand	118-123	6	9
β-strand	126-128	3	9
β-strand	132-134	3	8
β-strand	138-139	2	8
β-strand	145-153	9	8
β-strand	161-166	6	9
β-strand	174-178	5	9

Chain D: 5 helices, 15 β-strands

Element	Residues	Length	Sheet
β-strand	8-18	11	7
β-strand	23-31	9	7
β-strand	36-41	6	7
β-strand	47-49	3	7
α-helix	52-54	3
α-helix	55-63	9
α-helix	65-74	10
α-helix	75-79	5
α-helix	80-87	8
β-strand	95	1	10
β-strand	98-103	6	11
β-strand	114-122	9	11
β-strand	123	1	10
β-strand	128-133	6	12
β-strand	136-137	2	12
β-strand	142-144	3	11
β-strand	148-149	2	11
β-strand	155-162	8	11
β-strand	170-176	7	12
β-strand	184-189	6	12

Chain E: 4 helices, 17 β-strands

Element	Residues	Length	Sheet
β-strand	5	1	13
β-strand	10-14	5	14
β-strand	19-24	6	13
β-strand	38-44	7	14
α-helix	49-50	2
β-strand	51-56	6	14
β-strand	66-67	2	13
β-strand	77-80	4	13
β-strand	86-91	6	13
α-helix	96-98	3
β-strand	100-107	8	14
β-strand	122-127	6	14
β-strand	136-140	5	15
β-strand	141-142	2	16
β-strand	150-156	7	15
α-helix	162-165	4
β-strand	171-172	2	15
α-helix	173-175	3
β-strand	176-180	5	15
β-strand	185-193	9	15
β-strand	215	1	15

Chain F: 10 helices, 24 β-strands

Element	Residues	Length	Sheet
β-strand	5-7	3	17
β-strand	10-14	5	18
β-strand	19-24	6	17
α-helix	25-26	2
β-strand	38-44	7	18
β-strand	50-57	8	18
β-strand	64	1	18
β-strand	76-79	4	17
β-strand	87-91	5	17
α-helix	96-98	3
β-strand	100-107	8	18
α-helix	115-116	2
β-strand	117-118	2	18
β-strand	122-127	6	18
α-helix	130-132	3
β-strand	134	1	19
β-strand	137-142	6	16
α-helix	143-144	2
α-helix	145-150	6
β-strand	153-163	11	16
β-strand	164	1	19
β-strand	168-174	7	20
β-strand	177-179	3	20
β-strand	183-185	3	16
α-helix	189	1
β-strand	190-191	2	16
α-helix	199-200	2
β-strand	201-210	10	16
α-helix	211-214	4
β-strand	220-227	8	20
β-strand	230	1	21
α-helix	241-242	2
β-strand	244	1	21
β-strand	246-253	8	20

Chain G: 6 helices, 16 β-strands

Element	Residues	Length	Sheet
β-strand	5	1	22
β-strand	10-14	5	23
α-helix	18	1
β-strand	19-24	6	22
β-strand	38-44	7	23
α-helix	49-50	2
β-strand	51-56	6	23
β-strand	66-67	2	22
β-strand	77-80	4	22
β-strand	86-91	6	22
α-helix	96-98	3
β-strand	100-107	8	23
β-strand	122-127	6	23
α-helix	128	1
β-strand	136-142	7	24
β-strand	149-156	8	24
α-helix	162-165	4
β-strand	171-172	2	24
α-helix	173-175	3
β-strand	176-180	5	24
β-strand	185-193	9	24
β-strand	215	1	24

Chain H: 8 helices, 24 β-strands

Element	Residues	Length	Sheet
β-strand	5-7	3	25
β-strand	10-14	5	26
β-strand	19-24	6	25
β-strand	38-44	7	26
β-strand	50-57	8	26
β-strand	64-67	4	26
β-strand	76-79	4	25
β-strand	87-91	5	25
α-helix	96-98	3
β-strand	100-107	8	26
α-helix	115-116	2
β-strand	117-118	2	26
β-strand	122-127	6	26
β-strand	134	1	27
β-strand	137-142	6	24
α-helix	143-144	2
α-helix	145-151	7
β-strand	153-163	11	24
β-strand	164	1	27
β-strand	168-174	7	28
β-strand	177-179	3	28
β-strand	183-185	3	24
α-helix	189	1
β-strand	190-191	2	24
α-helix	199-200	2
β-strand	201-210	10	24
α-helix	211-215	5
β-strand	220-227	8	28
β-strand	230	1	29
α-helix	241-242	2
β-strand	244	1	29
β-strand	247-253	7	28

2 more chain groups are not listed. Open the entry in the viewer and use the sequence panel to see them.

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
HLA class II histocompatibility antigen, DQ alpha 1 chain	A, C	protein	191	Homo sapiens	P01909 (AlphaFold model)
HLA class II histocompatibility antigen, DQ beta 1 chain	B, D	protein	213	Homo sapiens	P01920 (AlphaFold model)
T-cell receptor, s16, alpha chain	E, G	protein	203	Homo sapiens	Q2YD82 (AlphaFold model)
T-cell receptor, s16, beta chain	F, H	protein	241	Homo sapiens	P01850 (AlphaFold model)
Gliadin-alpha2 peptide	I, J	protein	13	Triticum aestivum	P04722

Sequence of entity 1 (A, C), FASTA

>4OZH_1 HLA class II histocompatibility antigen, DQ alpha 1 chain (chains A, C)
EDIVADHVASYGVNLYQSYGPSGQYTHEFDGDEQFYVDLGRKETVWCLPVLRQFRFDPQF
ALTNIAVLKHNLNSLIKRSNSTAATNEVPEVTVFSKSPVTLGQPNILICLVDNIFPPVVN
ITWLSNGHSVTEGVSETSFLSKSDHSFFKISYLTLLPSAEESYDCKVEHWGLDKPLLKHW
EPETSGDDDDK

Sequence of entity 2 (B, D), FASTA

>4OZH_2 HLA class II histocompatibility antigen, DQ beta 1 chain (chains B, D)
GGSIEGRGGSGASRDSPEDFVYQFKGMCYFTNGTERVRLVSRSIYNREEIVRFDSDVGEF
RAVTLLGLPAAEYWNSQKDILERKRAAVDRVCRHNYQLELRTTLQRRVEPTVTISPSRTE
ALNHHNLLVCSVTDFYPAQIKVRWFRNDQEETAGVVSTPLIRNGDWTFQILVMLEMTPQR
GDVYTCHVEHPSLQSPITVEWRAQSTGGDDDDK

Sequence of entity 3 (E, G), FASTA

>4OZH_3 T-cell receptor, s16, alpha chain (chains E, G)
MKTTQPPSMDCAEGRAANLPCNHSTISGNEYVYWYRQIHSQGPQYIIHGLKNNETNEMAS
LIITEDRKSSTLILPHATLRDTAVYYCIVWGGATNKLIFGTGTLLAVQPNIQNPDPAVYQ
LRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDKCVLDMRSMDFKSNSAVAWSNKSDF
ACANAFNNSIIPEDTFFPSPESS

Sequence of entity 4 (F, H), FASTA

>4OZH_4 T-cell receptor, s16, beta chain (chains F, H)
GVSQSPSNKVTEKGKDVELRCDPISGHTALYWYRQSLGQGLEFLIYFQGNSAPDKSGLPS
DRFSAERTGGSVSTLTIQRTQQEDSAVYLCASSVRSTDTQYFGPGTRLTVLEDLKNVFPP
EVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWWVNGKEVHSGVCTDPQPLKEQPAL
NDSRYALSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGRA
D

Sequence of entity 5 (I, J), FASTA

>4OZH_5 Gliadin-alpha2 peptide (chains I, J)
APQPELPYPQPGS

Ligands and cofactors

ID	Name	Formula	Copies
CA	Calcium ion	Ca	1
NAG	2-acetamido-2-deoxy-beta-D-glucopyranose	C8 H15 N O6	3

Primary citation

T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease. Petersen, J., Montserrat, V., Mujico, J.R. et al. Nat Struct Mol Biol (2014) 21:480-488. DOI 10.1038/nsmb.2817 · PubMed

Other PDB entries of the same protein (UniProt P01909 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6U3M 1.9 Å, DQ2-P.fluor-alpha1a
5KSA 2.0 Å, Bel602-DQ8.5-glia-gamma1 complex
6MFG 2.0 Å, HLA-DQ2-glia-alpha1
2NNA 2.1 Å, Structure of the MHC class II molecule HLA-DQ8 bound with a deamidated gluten peptide
8W84 2.1 Å, HLA-DQ2.5-alpha2 gliadin peptide in complex with DQN0344AE02
5KSV 2.19 Å, Crystal structure of HLA-DQ2.5-CLIP2
9EJG 2.2 Å, Peptide-independent T cell receptor recognition of HLA-DQ2
1S9V 2.22 Å, Crystal structure of HLA-DQ2 complexed with deamidated gliadin peptide
8W86 2.24 Å, HLA-DQ2.5-B/C hordein peptide in complex with DQN0385AE02
1JK8 2.4 Å, Crystal structure of a human insulin peptide-HLA-DQ8 complex
6XP6 2.4 Å, 3C11-DQ2-glia-a2 complex
9EJH 2.45 Å, Peptide-independent T cell receptor recognition of HLA-DQ2

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