Crystal structure of the R64D mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4. Determined by X-ray diffraction at 1.6 Å resolution. Released 21 Jul 2021.
Explore 7JQO in 3D Show helices and sheets RCSB PDB PDBe
7JQO contains 17 α-helices and 39 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 | 17 | 1 | 1 |
| β-strand | 20-21 | 2 | 2 |
| α-helix | 22-23 | 2 | |
| β-strand | 30-35 | 6 | 3 |
| β-strand | 38-48 | 10 | 3 |
| β-strand | 51-54 | 4 | 3 |
| α-helix | 56-58 | 3 | |
| β-strand | 63-67 | 5 | 3 |
| β-strand | 72 | 1 | 4 |
| α-helix | 74A-76 | 3 | |
| β-strand | 81-85 | 5 | 3 |
| β-strand | 87-90 | 4 | 3 |
| β-strand | 104-107 | 4 | 3 |
| α-helix | 111-114 | 4 | |
| α-helix | 122 | 1 | |
| β-strand | 123 | 1 | 2 |
| α-helix | 124 | 1 | |
| α-helix | 128-129 | 2 | |
| β-strand | 135-140 | 6 | 2 |
| α-helix | 150-152 | 3 | |
| β-strand | 154 | 1 | 4 |
| β-strand | 156-162 | 7 | 2 |
| α-helix | 163-164 | 2 | |
| α-helix | 165-172 | 8 | |
| β-strand | 180-183 | 4 | 2 |
| β-strand | 189 | 1 | 1 |
| β-strand | 198-201 | 4 | 2 |
| β-strand | 208-215 | 8 | 2 |
| β-strand | 226-230 | 5 | 2 |
| α-helix | 231-233 | 3 | |
| α-helix | 235-243 | 9 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 3 | 1 | 5 |
| α-helix | 4 | 1 | |
| β-strand | 5 | 1 | 6 |
| α-helix | 10 | 1 | |
| β-strand | 11 | 1 | 6 |
| α-helix | 12 | 1 | |
| β-strand | 13 | 1 | 7 |
| β-strand | 19-23 | 5 | 8 |
| β-strand | 30-34 | 5 | 8 |
| β-strand | 44-48 | 5 | 8 |
| β-strand | 54 | 1 | 8 |
| β-strand | 57-60 | 4 | 8 |
| β-strand | 63 | 1 | 2 |
| β-strand | 67 | 1 | 7 |
| β-strand | 69 | 1 | 5 |
| β-strand | 74-78 | 5 | 8 |
| β-strand | 87-93 | 7 | 8 |
| β-strand | 97-103 | 7 | 8 |
| β-strand | 112-117 | 6 | 8 |
| β-strand | 120-125 | 6 | 8 |
| α-helix | 127-129 | 3 | |
| β-strand | 134-141 | 8 | 8 |
| β-strand | 144-149 | 6 | 8 |
| α-helix | 154-156 | 3 | |
| β-strand | 157-161 | 5 | 8 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Kallikrein-4 | E | protein | 223 | Homo sapiens | Q9Y5K2 (AlphaFold model) |
| Kunitz-type inihibitor | I | protein | 166 | Bauhinia bauhinioides | P83052 (AlphaFold model) |
>7JQO_1 Kallikrein-4 (chains E) IINGEDCSPHSQPWQAALVMENELFCSGVLVHPQWVLSAAHCFQNSYTIGLGLHSLEADQ EPGSQMVEASLSVRHPEYNRPLLANDLMLIKLDESVSESDTIRSISIASQCPTAGNSCLV SGWGLLANGRMPTVLQCVNVSVVSEEVCSKLYDPLYHPSMFCAGGGQDQKDSCNGDSGGP LICNGYLQGLVSFGKAPCGQVGVPGVYTNLCKFTEWIEKTVQA
>7JQO_2 Kunitz-type inihibitor (chains I) GSSVVVDTNGQPVSNGADAYYLVPVSHGHAGLALAKIGNEAEPRAVVLDPHHRPGLPVRF ESPLDINIIKESYFLNIKFGPSSSDSGVWDVIQQDPIGLAVKVTDTKSLLGPFKVEKEGE GYKIVYYPERGQTGLDIGLVHRNDKYYLAVKDGEPCVFKIRKATDE
Water and common crystallization additives (CL, SO4) are not listed.
Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI. Li, M., Srp, J., Mares, M. et al. Acta Crystallogr D Struct Biol (2021) 77:1084-1098. DOI 10.1107/S2059798321006483 · PubMed
Other PDB entries of the same protein (UniProt Q9Y5K2 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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