Human beta-tryptase co-crystal structure with 5-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}-2-(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}-[1,1'-biphenyl]-3-yl)-2-hydroxy-2H-1,3,2-benzodioxaborol-2-uide. Determined by X-ray diffraction at 2.55 Å resolution. Released 25 Mar 2020.
Explore 6P0P in 3D Show helices and sheets RCSB PDB PDBe
6P0P contains 19 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 | 45-50 | 6 | 3 |
| β-strand | 56-65 | 10 | 3 |
| β-strand | 68-71 | 4 | 3 |
| α-helix | 73-76 | 4 | |
| β-strand | 79 | 1 | 4 |
| α-helix | 80-82 | 3 | |
| 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 | 130-133 | 4 | |
| α-helix | 139-140 | 2 | |
| β-strand | 141 | 1 | 2 |
| α-helix | 142-144 | 3 | |
| β-strand | 154-159 | 6 | 2 |
| β-strand | 164 | 1 | 6 |
| β-strand | 167 | 1 | 6 |
| α-helix | 168-170 | 3 | |
| β-strand | 174 | 1 | 5 |
| β-strand | 176-183 | 8 | 2 |
| α-helix | 185-193 | 9 | |
| β-strand | 196 | 1 | 7 |
| β-strand | 209-212 | 4 | 2 |
| β-strand | 218 | 1 | 1 |
| β-strand | 227-232 | 6 | 2 |
| β-strand | 235-244 | 10 | 2 |
| β-strand | 255-259 | 5 | 2 |
| α-helix | 260-270 | 11 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 32 | 1 | 8 |
| β-strand | 35-36 | 2 | 9 |
| α-helix | 37-38 | 2 | |
| β-strand | 45-50 | 6 | 10 |
| β-strand | 56-65 | 10 | 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 | 102-109 | 8 | 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 |
| β-strand | 227-232 | 6 | 9 |
| β-strand | 235-244 | 10 | 9 |
| β-strand | 250 | 1 | 13 |
| β-strand | 253 | 1 | 13 |
| β-strand | 255-259 | 5 | 9 |
| α-helix | 260-268 | 9 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Tryptase alpha/beta-1 | A, B | protein | 275 | Homo sapiens | Q15661 (AlphaFold model) |
>6P0P_1 Tryptase alpha/beta-1 (chains A, B) MLNLLLLALPVLASRAYAAPAPGQALQRVGIVGGQEAPRSKWPWQVSLRVHGPYWMHFCG GSLIHPQWVLTAAHCVGPDVKDLAALRVQLREQHLYYQDQLLPVSRIIVHPQFYTAQIGA DIALLELEEPVKVSSHVHTVTLPPASETFPPGMPCWVTGWGDVDNDERLPPPFPLKQVKV PIMENHICDAKYHLGAYTGDDVRIVRDDMLCAGNTRRDSCQGDSGGPLVCKVNGTWLQAG VVSWGEGCAQPNRPGIYTRVTYYLDWIHHYVPKKP
| ID | Name | Formula | Copies |
|---|---|---|---|
| Y35 | (3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-… | C44 H46 B N4 O5 | 1 |
Water and common crystallization additives (SO4, PGE, MES) are not listed.
Novel, Self-Assembling Dimeric Inhibitors of Human beta Tryptase. Giardina, S.F., Werner, D.S., Pingle, M. et al. J Med Chem (2020) 63:3004-3027. DOI 10.1021/acs.jmedchem.9b01689 · PubMed
Other PDB entries of the same protein (UniProt Q15661 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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