Crystal structure of the SSL3-TLR2 complex. Determined by X-ray diffraction at 3.2 Å resolution. Released 19 Aug 2015.
Explore 5D3I in 3D Show helices and sheets RCSB PDB PDBe
5D3I contains 23 α-helices and 53 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.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 29-30 | 2 | 1 |
| β-strand | 35-37 | 3 | 1 |
| α-helix | 46-47 | 2 | |
| β-strand | 56-58 | 3 | 1 |
| β-strand | 66-67 | 2 | 2 |
| β-strand | 80-82 | 3 | 1 |
| β-strand | 90-91 | 2 | 2 |
| β-strand | 104-106 | 3 | 1 |
| β-strand | 128-130 | 3 | 1 |
| β-strand | 153-158 | 6 | 1 |
| β-strand | 164-165 | 2 | 3 |
| β-strand | 175-183 | 9 | 1 |
| β-strand | 188-189 | 2 | 3 |
| β-strand | 199-206 | 8 | 1 |
| β-strand | 209 | 1 | 4 |
| α-helix | 213-220 | 8 | |
| β-strand | 224 | 1 | 1 |
| β-strand | 226-230 | 5 | 1 |
| β-strand | 233 | 1 | 4 |
| α-helix | 248-249 | 2 | |
| β-strand | 253-257 | 5 | 1 |
| β-strand | 260-261 | 2 | 4 |
| α-helix | 263-270 | 8 | |
| α-helix | 271-275 | 5 | |
| β-strand | 281-285 | 5 | 1 |
| β-strand | 288-289 | 2 | 4 |
| β-strand | 311-315 | 5 | 1 |
| β-strand | 318 | 1 | 4 |
| β-strand | 327 | 1 | 5 |
| α-helix | 329-334 | 6 | |
| β-strand | 340-344 | 5 | 1 |
| α-helix | 353-358 | 6 | |
| β-strand | 364-366 | 3 | 1 |
| α-helix | 374-380 | 7 | |
| β-strand | 391-393 | 3 | 1 |
| α-helix | 402-408 | 7 | |
| α-helix | 409-411 | 3 | |
| β-strand | 417-419 | 3 | 1 |
| α-helix | 425-428 | 4 | |
| β-strand | 440-442 | 3 | 1 |
| β-strand | 461-463 | 3 | 1 |
| β-strand | 481-483 | 3 | 1 |
| α-helix | 492-494 | 3 | |
| α-helix | 495-497 | 3 | |
| β-strand | 503-505 | 3 | 1 |
| α-helix | 516-521 | 6 | |
| β-strand | 527-529 | 3 | 1 |
| β-strand | 535-536 | 2 | 6 |
| α-helix | 539-547 | 9 | |
| α-helix | 549-553 | 5 | |
| β-strand | 555 | 1 | 1 |
| β-strand | 564-566 | 3 | 6 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 139-144 | 6 | |
| β-strand | 150-157 | 8 | 7 |
| β-strand | 158 | 1 | 8 |
| β-strand | 168-171 | 4 | 8 |
| β-strand | 176 | 1 | 5 |
| β-strand | 178-181 | 4 | 8 |
| α-helix | 185-189 | 5 | |
| β-strand | 195-202 | 8 | 7 |
| β-strand | 214-216 | 3 | 8 |
| β-strand | 219-221 | 3 | 7 |
| α-helix | 222-223 | 2 | |
| β-strand | 229-238 | 10 | 9 |
| β-strand | 244-253 | 10 | 9 |
| β-strand | 257-259 | 3 | 10 |
| α-helix | 260-275 | 16 | |
| β-strand | 277 | 1 | 11 |
| β-strand | 281 | 1 | 11 |
| β-strand | 284-290 | 7 | 9 |
| β-strand | 295-299 | 5 | 9 |
| α-helix | 303-305 | 3 | |
| α-helix | 306-310 | 5 | |
| β-strand | 312-314 | 3 | 10 |
| α-helix | 315-317 | 3 | |
| β-strand | 318-325 | 8 | 9 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Toll-like receptor 2 | A | protein | 568 | Mus musculus | Q9QUN7 (AlphaFold model) |
| Staphylococcal Superantigen-Like protein 3 | B | protein | 195 | Staphylococcus aureus (strain NCTC 8325) | Q2G0X7 (AlphaFold model) |
>5D3I_1 Toll-like receptor 2 (chains A) GSQESLSCDASGVCDGRSRSFTSIPSGLTAAMKSLDLSFNKITYIGHGDLRACANLQVLI LKSSRINTIEGDAFYSLGSLEHLDLSDNHLSSLSSSWFGPLSSLKYLNLMGNPYQTLGVT SLFPNLTNLQTLRIGNVETFSEIRRIDFAGLTSLNELEIKALSLRNYQSQSLKSIRDIHH LTLHLSESAFLLEIFADILSSVRYLELRDTNLARFQFSPLPVDEVSSPMKKLAFRGSVLT DESFNELLKLLRYILELSEVEFDDCTLNGLGDFNPSESDVVSELGKVETVTIRRLHIPQF YLFYDLSTVYSLLEKVKRITVENSKVFLVPCSFSQHLKSLEFLDLSENLMVEEYLKNSAC KGAWPSLQTLVLSQNHLRSMQKTGEILLTLKNLTSLDISRNTFHPMPDSCQWPEKMRFLN LSSTGIRVVKTCIPQTLEVLDVSNNNLDSFSLFLPRLQELYISRNKLKTLPDASLFPVLL VMKIRENAVSTFSKDQLGSFPKLETLEAGDNHFVCSCELLSFTMETPALAQILVDWPDSY LCDSPPRLHGHRLQDARPSVLECHQAAA
>5D3I_2 Staphylococcal Superantigen-Like protein 3 (chains B) GSMTPKYEDLRAYYTKPSFEFEKQFGFMLKPWTTVRFMNVIPNRFIYKIALVGKDEKKYK DGPYDNIDVFIVLEDNKYQLKKYSVGGITKTNSKKVNHKVELSITKKDNQGMISRDVSEY MITKEEISLKELDFKLRKQLIEKHNLYGNMGSGTIVIKMKNGGKYTFELHKKLQEHRMAD VIDGTNIDNIEVNIK
| ID | Name | Formula | Copies |
|---|---|---|---|
| NAG | 2-acetamido-2-deoxy-beta-D-glucopyranose | C8 H15 N O6 | 1 |
| PCW | 1,2-dioleoyl-sn-glycero-3-phosphocholine | C44 H85 N O8 P | 1 |
Water and common crystallization additives (CL) are not listed.
Structural basis for inhibition of TLR2 by staphylococcal superantigen-like protein 3 (SSL3). Koymans, K.J., Feitsma, L.J., Brondijk, T.H. et al. Proc Natl Acad Sci U S A (2015) 112:11018-11023. DOI 10.1073/pnas.1502026112 · PubMed
Other PDB entries of the same protein (UniProt Q9QUN7 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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