Human beta-tryptase co-crystal structure with {(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone). Determined by X-ray diffraction at 2.25 Å resolution. Released 18 Mar 2015.
Explore 4MQA in 3D Show helices and sheets RCSB PDB PDBe
4MQA contains 22 α-helices and 47 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 | 32 | 1 | 1 |
| β-strand | 35-36 | 2 | 2 |
| α-helix | 37-38 | 2 | |
| β-strand | 45-51 | 7 | 3 |
| β-strand | 55-65 | 11 | 3 |
| β-strand | 68-71 | 4 | 3 |
| α-helix | 73-75 | 3 | |
| β-strand | 79 | 1 | 4 |
| α-helix | 83-85 | 3 | |
| β-strand | 86-89 | 4 | 3 |
| β-strand | 94 | 1 | 5 |
| β-strand | 102 | 1 | 3 |
| β-strand | 104-109 | 6 | 3 |
| β-strand | 123-127 | 5 | 3 |
| α-helix | 130-132 | 3 | |
| α-helix | 139-140 | 2 | |
| β-strand | 141 | 1 | 2 |
| α-helix | 142-144 | 3 | |
| β-strand | 155-159 | 5 | 2 |
| β-strand | 164 | 1 | 6 |
| β-strand | 167 | 1 | 6 |
| α-helix | 168-170 | 3 | |
| β-strand | 174 | 1 | 5 |
| α-helix | 175 | 1 | |
| β-strand | 176-179 | 4 | 2 |
| β-strand | 182-183 | 2 | 2 |
| α-helix | 185-193 | 9 | |
| β-strand | 196 | 1 | 7 |
| β-strand | 209-212 | 4 | 2 |
| β-strand | 218 | 1 | 1 |
| α-helix | 226 | 1 | |
| β-strand | 227-232 | 6 | 2 |
| β-strand | 235-244 | 10 | 2 |
| β-strand | 255-259 | 5 | 2 |
| α-helix | 260-263 | 4 | |
| α-helix | 264-270 | 7 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 32 | 1 | 8 |
| β-strand | 35-36 | 2 | 9 |
| α-helix | 37-38 | 2 | |
| β-strand | 45-51 | 7 | 10 |
| β-strand | 55-65 | 11 | 10 |
| β-strand | 68-71 | 4 | 10 |
| α-helix | 73-75 | 3 | |
| β-strand | 79 | 1 | 7 |
| α-helix | 83-85 | 3 | |
| β-strand | 86-89 | 4 | 10 |
| β-strand | 94 | 1 | 11 |
| β-strand | 102 | 1 | 10 |
| β-strand | 104-109 | 6 | 10 |
| β-strand | 123-127 | 5 | 10 |
| α-helix | 139-140 | 2 | |
| β-strand | 141 | 1 | 9 |
| α-helix | 142-144 | 3 | |
| β-strand | 154-159 | 6 | 9 |
| β-strand | 164 | 1 | 12 |
| β-strand | 167 | 1 | 12 |
| α-helix | 168-170 | 3 | |
| β-strand | 174 | 1 | 11 |
| α-helix | 175 | 1 | |
| β-strand | 176-183 | 8 | 9 |
| α-helix | 185-193 | 9 | |
| β-strand | 196 | 1 | 4 |
| β-strand | 209-212 | 4 | 9 |
| β-strand | 218 | 1 | 8 |
| α-helix | 226 | 1 | |
| β-strand | 227-232 | 6 | 9 |
| β-strand | 235-244 | 10 | 9 |
| β-strand | 255-259 | 5 | 9 |
| α-helix | 260-270 | 11 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Tryptase alpha/beta-1 | A, B | protein | 245 | Homo sapiens | Q15661 (AlphaFold model) |
>4MQA_1 Tryptase alpha/beta-1 (chains A, B) IVGGQEAPRSKWPWQVSLRVHGPYWMHFCGGSLIHPQWVLTAAHCVGPDVKDLAALRVQL REQHLYYQDQLLPVSRIIVHPQFYTAQIGADIALLELEEPVKVSSHVHTVTLPPASETFP PGMPCWVTGWGDVDNDERLPPPFPLKQVKVPIMENHICDAKYHLGAYTGDDVRIVRDDML CAGNTRRDSCQGDSGGPLVCKVNGTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIHHY VPKKP
| ID | Name | Formula | Copies |
|---|---|---|---|
| X00 | {(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl… | C44 H58 N4 O3 S2 Si2 | 1 |
Water and common crystallization additives (SO4, PG4) are not listed.
Target-directed self-assembly of homodimeric drugs. Giardina, S.F., Pingle, M., Foreman, K.W. et al. To be published.
Other PDB entries of the same protein (UniProt Q15661 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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