7RNO: PDB entry 7RNO

Model of the Ac-6-FP/hpMR1/bB2m/TAPBPR complex from integrated docking, NMR and restrained MD. Determined by solution NMR. Released 11 May 2022.

Method: Solution NMR
Organisms: Homo sapiens, Bos taurus
Chains: 3
Atoms: 5,940
Mol. weight: 86.35 kDa
Ligands: 30W
Released: 11 May 2022

Explore 7RNO in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7RNO contains 18 α-helices and 63 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: 7 helices, 19 β-strands

Element	Residues	Length	Sheet
β-strand	5-14	10	1
β-strand	23-29	7	1
β-strand	32-38	7	1
β-strand	43-46	4	1
α-helix	49-54	6
α-helix	57-85	29
β-strand	91-101	11	1
β-strand	107-115	9	1
β-strand	118-124	7	1
β-strand	129-132	4	1
α-helix	135-146	12
α-helix	148-150	3
α-helix	151-156	6
α-helix	157-161	5
α-helix	162-172	11
β-strand	181	1	2
β-strand	184-193	10	3
β-strand	196-206	11	3
β-strand	207	1	2
β-strand	211-217	7	4
β-strand	220-221	2	4
β-strand	226-228	3	3
β-strand	232-233	2	3
β-strand	239-247	9	3
β-strand	255-261	7	4
β-strand	264-268	5	4

Chain B: 0 helices, 12 β-strands

Element	Residues	Length	Sheet
β-strand	4	1	5
β-strand	7-12	6	6
β-strand	17	1	7
β-strand	20	1	7
β-strand	22-31	10	6
β-strand	32	1	5
β-strand	36-42	7	3
β-strand	45-46	2	3
β-strand	49-56	8	6
β-strand	62-70	9	6
β-strand	78-84	7	3
β-strand	91-95	5	3

Chain C: 11 helices, 32 β-strands

Element	Residues	Length	Sheet
β-strand	9	1	8
β-strand	12-19	8	9
β-strand	37-45	9	9
α-helix	47	1
β-strand	48	1	8
α-helix	49	1
β-strand	65	1	9
α-helix	68-70	3
β-strand	73-74	2	9
β-strand	77-78	2	9
α-helix	83-85	3
α-helix	88-95	8
β-strand	99-105	7	9
β-strand	120-127	8	9
β-strand	133-139	7	9
β-strand	167-174	8	9
β-strand	178-182	5	10
β-strand	187-189	3	11
β-strand	192-195	4	9
β-strand	201-210	10	10
β-strand	213-221	9	10
β-strand	224-227	4	10
β-strand	232	1	11
α-helix	234-238	5
α-helix	242	1
β-strand	243-244	2	9
β-strand	247-249	3	11
α-helix	254-256	3
β-strand	258-266	9	10
β-strand	270-280	11	10
β-strand	281	1	12
β-strand	284-289	6	3
α-helix	290-291	2
α-helix	296	1
β-strand	297-305	9	3
β-strand	306	1	12
β-strand	311-317	7	13
β-strand	324-326	3	13
β-strand	330-336	7	3
β-strand	342-349	8	3
β-strand	357-364	8	13
β-strand	372-378	7	13
α-helix	381-383	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Major histocompatibility complex class I-related gene protein	A	protein	271	Homo sapiens, Bos taurus	C1ITJ8 (AlphaFold model), Q95460 (AlphaFold model)
Beta-2-microglobulin	B	protein	99	Bos taurus	P01888 (AlphaFold model)
TAP binding protein-like variant	C	protein	396	Homo sapiens	Q9BX59 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7RNO_1 Major histocompatibility complex class I-related gene protein (chains A)
MRTHSLRYFRLGVSDPIHGVPEFISVGYVDSHPITTYDSVTRQKEPRAPWMAENLAPDHW
ERYTQLLRGWQQMFKVELKRLQRHYNHSGSHTYQRMIGCELLEDGSTTGFLQYAYDGQDF
LIFNKDTLSWLAVDNVAHTIKQAWEANQHELLYQKNWLEEECIAWLKRFLEYGKDTLQRT
EPPKVRVNHKETFPGITTLYCRAYGFYPPEISINWMKNGEEIFQDTDYGGILPSGDGTYQ
TWVSVELDPQNGDIYSCHVEHGGVHMVLQGF

Sequence of entity 2 (B), FASTA

>7RNO_2 Beta-2-microglobulin (chains B)
MIQRPPKIQVYSRHPPEDGKPNYLNCYVYGFHPPQIEIDLLKNGEKIKSEQSDLSFSKDW
SFYLLSHAEFTPNSKDQYSCRVKHVTLEQPRIVKWDRDL

Sequence of entity 3 (C), FASTA

>7RNO_3 TAP binding protein-like variant (chains C)
KPHPAEGQWRAVDVVLDCFLVKDGAHRGAXASSEDRARASLVLKQVPVLDDGSLEDFTDF
QGGTLAQDDPPIIFEASVDLVQIPQAEALLHADCSGKEVTCEISRYFLQMTETTVKTAAW
FMANVQVSGGGPSISLVMKTPRVAKNEVLWHPTLNLPLSPQGTVRTAVEFQVMTQTQSLS
FLLGSSASLDCGFSMAPGLDLISVEWRLQHKGRGQLVYSWTAGQGQAVRKGATLEPAQLG
MARDASLTLPGLTIQDEGTYICQITTSLYRAQQIIQLNIQASPKVRLSLANEALLPTLIC
DIAGYYPLDVVVTWTREELGGSPAQVSGASFSSLRQSVAGTYSISSSLTAEPGSAGATYT
CQVTHISLEEPLGASTQVVPPERRLEGGLEVLFQGP

Ligands and cofactors

ID	Name	Formula	Copies
30W	N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide	C9 H7 N5 O3	1

Primary citation

TAPBPR employs a ligand-independent docking mechanism to chaperone MR1 molecules. McShan, A.C., Devlin, C.A., Papadaki, G.F. et al. Nat Chem Biol (2022) 18:859-868. DOI 10.1038/s41589-022-01049-9 · PubMed

Other PDB entries of the same protein (UniProt C1ITJ8 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4IIQ 2.86 Å, Crystal structure of a human MAIT TCR in complex with bovine MR1
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

Browse structure collections

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