2AQ2: T-cell receptor V beta domain variant

Crystal structure of T-cell receptor V beta domain variant complexed with superantigen SEC3 mutant. Determined by X-ray diffraction at 1.8 Å resolution. Released 21 Mar 2006.

Method: X-ray diffraction
Resolution: 1.8 Å
Organisms: Mus musculus, Staphylococcus aureus
Chains: 2
Atoms: 3,024
Mol. weight: 40.44 kDa
Ligands: ZN
Released: 21 Mar 2006

Explore 2AQ2 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2AQ2 contains 10 α-helices and 30 β-strands across 2 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: 1 helix, 11 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	1
β-strand	10-13	4	2
β-strand	19-25	7	1
β-strand	31-37	7	2
β-strand	43-49	7	2
β-strand	56-57	2	2
β-strand	66-71	6	1
β-strand	74-79	6	1
α-helix	84-86	3
β-strand	88-96	9	2
β-strand	99-108	4	2
β-strand	112-116	5	2

Chain B: 9 helices, 19 β-strands

Element	Residues	Length	Sheet
α-helix	3-7	5
α-helix	8-10	3
α-helix	14-16	3
β-strand	17	1	3
α-helix	22-25	4
β-strand	33-38	6	4
β-strand	42	1	5
β-strand	48-51	4	5
β-strand	61-67	7	5
α-helix	71-77	7
β-strand	82-86	5	4
β-strand	89	1	5
β-strand	105-110	6	5
β-strand	113-115	3	4
β-strand	120	1	6
β-strand	127-135	9	7
β-strand	138-147	10	7
β-strand	149	1	6
β-strand	151-153	3	8
α-helix	154-169	16
β-strand	179-187	9	7
β-strand	193-197	5	7
α-helix	200-201	2
β-strand	203	1	3
α-helix	208-212	5
α-helix	213-217	5
β-strand	220-222	3	8
β-strand	227-234	8	7

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
T-cell receptor beta chain V	A	protein	112	Mus musculus	P04213 (AlphaFold model)
Enterotoxin type C-3	B	protein	237	Staphylococcus aureus	P0A0L5 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>2AQ2_1 T-CELL RECEPTOR BETA CHAIN V (chains A)
ILEAAVTQSPRNKVAVTGEKVTLSCQQTNNHNNMYWYRQDTGHGLRLIHYSYGVGNTEKG
DIPDGYEASRPSQEQFSLILESATPSQTSVYFCASGGGGTLYFGAGTRLSVL

Sequence of entity 2 (B), FASTA

>2AQ2_2 Enterotoxin type C-3 (chains B)
ESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKN
YDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDNVWWPGKTCMYGGITKHEGNH
FDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYE
TGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	1

Water and common crystallization additives (NA, SO4) are not listed.

Primary citation

Structural basis of affinity maturation and intramolecular cooperativity in a protein-protein interaction. Cho, S., Swaminathan, C.P., Yang, J. et al. Structure (2005) 13:1775-1787. DOI 10.1016/j.str.2005.08.015 · PubMed

Other PDB entries of the same protein (UniProt P04213 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5M02 1.75 Å, Crystal structure of murine P14 TCR / H-2Db with PF, modified gp33 peptide from LCMV
2APB 1.8 Å, Crystal Structure of the S54N variant of murine T cell receptor Vbeta 8.2 domain
2APF 1.8 Å, Crystal Structure of the A52V/S54N/K66E variant of the murine T cell receptor V beta 8.2…
2APX 1.8 Å, Crystal Structure of the G17E/A52V/S54N/K66E/Q72H/E80V/L81S/T87S/G96V variant of the…
6G9Q 1.89 Å, Ternary complex of P14 TCR with murine MHC class I H-2 Db in complex with self-antigen…
2APV 1.9 Å, Crystal Structure of the G17E/A52V/S54N/Q72H/E80V/L81S/T87S/G96V variant of the murine T…
5M00 1.95 Å, Crystal structure of murine P14 TCR complex with H-2Db and Y4A, modified gp33 peptide…
5M01 1.95 Å, Crystal structure of murine P14 TCR/ H-2Db complex with PA, modified gp33 peptide from…
1LP9 2.0 Å, Xenoreactive complex AHIII 12.2 TCR bound to p1049/HLA-A2.1
2APT 2.0 Å, Crystal Structure of the G17E/S54N/K66E/Q72H/E80V/L81S/T87S/G96V variant of the murine T…
2APW 2.0 Å, Crystal Structure of the G17E/A52V/S54N/K66E/E80V/L81S/T87S/G96V variant of the murine T…
2AQ1 2.1 Å, Crystal structure of T-cell receptor V beta domain variant complexed with superantigen…

Browse structure collections

About this viewer

MolViewer shows 2AQ2 directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.