Selectivity at S1, H2O displacement, upa, tpa, SER190/ALA190 protease, structure-based drug design. Determined by X-ray diffraction at 1.73 Å resolution. Released 27 Apr 2002.
Explore 1GJ5 in 3D Show helices and sheets RCSB PDB PDBe
1GJ5 contains 16 α-helices and 27 β-strands across 3 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 | 3 |
| β-strand | 20-21 | 2 | 4 |
| α-helix | 22-23 | 2 | |
| β-strand | 30-35 | 6 | 5 |
| β-strand | 39-46 | 8 | 5 |
| β-strand | 51-54 | 4 | 5 |
| α-helix | 56-58 | 3 | |
| β-strand | 60-60A | 2 | 6 |
| α-helix | 60B-60D | 3 | |
| β-strand | 60F-60G | 2 | 6 |
| α-helix | 61-63 | 3 | |
| β-strand | 64-68 | 5 | 5 |
| β-strand | 72 | 1 | 7 |
| β-strand | 81-83 | 3 | 5 |
| β-strand | 85-90 | 6 | 5 |
| β-strand | 95 | 1 | 8 |
| β-strand | 100 | 1 | 8 |
| β-strand | 104-108 | 5 | 5 |
| α-helix | 120-121 | 2 | |
| β-strand | 122 | 1 | 4 |
| β-strand | 123 | 1 | 2 |
| α-helix | 124 | 1 | |
| α-helix | 126-129C | 7 | |
| β-strand | 135-140 | 6 | 4 |
| β-strand | 154 | 1 | 7 |
| β-strand | 156-162 | 7 | 4 |
| α-helix | 165-169 | 5 | |
| α-helix | 175-176 | 2 | |
| β-strand | 180-183 | 4 | 4 |
| α-helix | 186-186B | 3 | |
| β-strand | 189 | 1 | 3 |
| β-strand | 198-202 | 5 | 4 |
| β-strand | 207-215 | 9 | 4 |
| β-strand | 226-230 | 5 | 4 |
| α-helix | 232-234 | 3 | |
| α-helix | 235-244 | 10 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 56-58 | 3 | |
| α-helix | 61-63 | 3 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 1G | 1 | 1 |
| β-strand | 1F | 1 | 2 |
| β-strand | 1D | 1 | 1 |
| α-helix | 8-10 | 3 | |
| α-helix | 14C-14I | 7 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Thrombin | L | protein | 36 | Homo sapiens | P00734 (AlphaFold model) |
| Thrombin | H | protein | 258 | Homo sapiens | P00734 (AlphaFold model) |
| Acetyl hirudin | I | protein | 11 | Hirudo medicinalis | P28504 (AlphaFold model) |
>1GJ5_1 THROMBIN (chains L) TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR
>1GJ5_2 THROMBIN (chains H) IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLL VRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCL PDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIR ITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFG
>1GJ5_3 ACETYL HIRUDIN (chains I) DFEEIPEEYLQ
| ID | Name | Formula | Copies |
|---|---|---|---|
| 130 | 2-(2-hydroxy-biphenyl)-1H-benzoimidazole-5-carboxamidine | C20 H16 N4 O | 1 |
Water and common crystallization additives (NA) are not listed.
Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Katz, B.A., Sprengeler, P.A., Luong, C. et al. Chem Biol (2001) 8:1107-1121. DOI 10.1016/S1074-5521(01)00084-9 · PubMed
Other PDB entries of the same protein (UniProt P00734 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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