Tsetse thrombin inhibitor in complex with human alpha-thrombin - tetragonal form at 12.7keV. Determined by X-ray diffraction at 1.8 Å resolution. Released 4 Nov 2020.
Explore 6TKI in 3D Show helices and sheets RCSB PDB PDBe
6TKI contains 15 α-helices and 24 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 | 322 | 1 | 1 |
| β-strand | 325-326 | 2 | 2 |
| α-helix | 327-328 | 2 | |
| β-strand | 335-340 | 6 | 3 |
| β-strand | 345-352 | 8 | 3 |
| β-strand | 357-360 | 4 | 3 |
| α-helix | 362-364 | 3 | |
| β-strand | 366-367 | 2 | 4 |
| α-helix | 368-370 | 3 | |
| β-strand | 372-373 | 2 | 4 |
| α-helix | 376-378 | 3 | |
| β-strand | 379-383 | 5 | 3 |
| β-strand | 387 | 1 | 5 |
| β-strand | 397-406 | 10 | 3 |
| β-strand | 411 | 1 | 6 |
| β-strand | 417 | 1 | 6 |
| β-strand | 421-425 | 5 | 3 |
| α-helix | 428-431 | 4 | |
| α-helix | 437-438 | 2 | |
| β-strand | 439 | 1 | 2 |
| α-helix | 440-441 | 2 | |
| α-helix | 443-449 | 7 | |
| β-strand | 451 | 1 | 7 |
| β-strand | 455-460 | 6 | 2 |
| β-strand | 479 | 1 | 5 |
| β-strand | 481-487 | 7 | 2 |
| α-helix | 490-495 | 6 | |
| α-helix | 500-501 | 2 | |
| β-strand | 505-508 | 4 | 2 |
| α-helix | 512-514 | 3 | |
| β-strand | 519 | 1 | 1 |
| β-strand | 528-532 | 5 | 2 |
| β-strand | 539-547 | 9 | 2 |
| β-strand | 558-562 | 5 | 2 |
| α-helix | 564-566 | 3 | |
| α-helix | 567-577 | 11 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 3 | 1 | 7 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 300-302 | 3 | |
| α-helix | 309-317 | 9 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Thrombin light chain | L | protein | 36 | Homo sapiens | P00734 (AlphaFold model) |
| Thrombin heavy chain | H | protein | 259 | Homo sapiens | P00734 (AlphaFold model) |
| Tsetse thrombin inhibitor | I | protein | 53 | Glossina morsitans morsitans | O97373 (AlphaFold model) |
>6TKI_1 Thrombin light chain (chains L) TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR
>6TKI_2 Thrombin heavy chain (chains H) IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLL VRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCL PDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIR ITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE
>6TKI_3 Tsetse thrombin inhibitor (chains I) MKFFTVLFFLLSIIYLIVAAPGEPGAPIDYDEYGDSSEEVGGTPLHEIPGIRL
| ID | Name | Formula | Copies |
|---|---|---|---|
| NAG | 2-acetamido-2-deoxy-beta-D-glucopyranose | C8 H15 N O6 | 1 |
Water and common crystallization additives (NA) are not listed.
Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates. Calisto, B.M., Ripoll-Rozada, J., Dowman, L.J. et al. Cell Chem Biol (2021) 28:26. DOI 10.1016/j.chembiol.2020.10.002 · 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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