Refined 2.3 Å X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors napap, 4-tapap and mqpa: a starting point for improving antithrombotics. Determined by X-ray diffraction at 2.5 Å resolution. Released 31 Jan 1994.
Explore 1ETT in 3D Show helices and sheets RCSB PDB PDBe
1ETT contains 11 α-helices and 24 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 | 2 |
| β-strand | 20-21 | 2 | 3 |
| α-helix | 22-23 | 2 | |
| β-strand | 30-35 | 6 | 4 |
| β-strand | 40-46 | 7 | 4 |
| β-strand | 51-54 | 4 | 4 |
| α-helix | 56-58 | 3 | |
| β-strand | 60-60A | 2 | 5 |
| α-helix | 60B-60D | 3 | |
| β-strand | 60F-60G | 2 | 5 |
| α-helix | 61-63 | 3 | |
| β-strand | 64-68 | 5 | 4 |
| β-strand | 72 | 1 | 6 |
| β-strand | 81-90 | 10 | 4 |
| β-strand | 95 | 1 | 7 |
| β-strand | 100 | 1 | 7 |
| β-strand | 104-108 | 5 | 4 |
| α-helix | 120-121 | 2 | |
| β-strand | 122 | 1 | 3 |
| β-strand | 123 | 1 | 1 |
| α-helix | 124 | 1 | |
| α-helix | 126-129C | 7 | |
| β-strand | 135-140 | 6 | 3 |
| β-strand | 154 | 1 | 6 |
| β-strand | 156-163 | 8 | 3 |
| α-helix | 165-169 | 5 | |
| β-strand | 180-183 | 4 | 3 |
| β-strand | 189 | 1 | 2 |
| β-strand | 198-202 | 5 | 3 |
| β-strand | 207-215 | 9 | 3 |
| β-strand | 226-230 | 5 | 3 |
| α-helix | 235-243 | 9 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 1F | 1 | 1 |
| α-helix | 5-9 | 5 | |
| α-helix | 14C-14K | 9 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Epsilon-thrombin | L | protein | 49 | Bos taurus | P00735 (AlphaFold model) |
| Epsilon-thrombin | H | protein | 259 | Bos taurus | P00735 (AlphaFold model) |
>1ETT_1 EPSILON-THROMBIN (chains L) TSEDHFQPFFNEKTFGAGEADCGLRPLFEKKQVQDQTEKELFESYIEGR
>1ETT_2 EPSILON-THROMBIN (chains H) IVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTVDDLL VRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDYIHPVCL PDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCKASTRIR ITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDRLGS
| ID | Name | Formula | Copies |
|---|---|---|---|
| 4QQ | 4-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benz… | C22 H28 N4 O3 S | 1 |
Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics. Brandstetter, H., Turk, D., Hoeffken, H.W. et al. J Mol Biol (1992) 226:1085-1099. DOI 10.1016/0022-2836(92)91054-S · PubMed
Other PDB entries of the same protein (UniProt P00735 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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