6TKL: Non-cleavable tsetse thrombin inhibitor

Non-cleavable tsetse thrombin inhibitor in complex with human alpha-thrombin. Determined by X-ray diffraction at 1.3 Å resolution. Released 4 Nov 2020.

Method
X-ray diffraction
Resolution
1.3 Å
Organisms
Homo sapiens, Glossina morsitans morsitans
Chains
3
Atoms
2,844
Mol. weight
40.19 kDa
Ligands
NAG
Released
4 Nov 2020

Explore 6TKL in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6TKL contains 16 α-helices and 28 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.

Chain H: 13 helices, 26 β-strands

ElementResiduesLengthSheet
β-strand32211
β-strand325-32622
α-helix327-3282
β-strand335-34063
β-strand345-35283
β-strand357-36043
α-helix362-3643
β-strand366-36724
α-helix368-3703
β-strand372-37324
α-helix376-3783
β-strand379-38353
β-strand38715
β-strand397-406103
β-strand41116
β-strand41716
β-strand421-42553
α-helix428-4314
β-strand43217
β-strand43517
α-helix437-4382
β-strand43912
α-helix440-4412
α-helix443-4497
β-strand45118
β-strand455-46062
β-strand47915
β-strand481-48772
α-helix490-4956
α-helix500-5012
β-strand505-50842
α-helix512-5143
β-strand51911
β-strand528-53252
β-strand539-54792
β-strand548-54929
β-strand558-56252
α-helix564-5663
α-helix567-57711
Chain I: 1 helix, 2 β-strands
ElementResiduesLengthSheet
β-strand318
α-helix24-263
β-strand30-3129
Chain L: 2 helices, 0 β-strands
ElementResiduesLengthSheet
α-helix300-3023
α-helix309-3157

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
ProthrombinLprotein36Homo sapiensP00734 (AlphaFold model)
ProthrombinHprotein259Homo sapiensP00734 (AlphaFold model)
Tsetse thrombin inhibitorIprotein53Glossina morsitans morsitansO97373 (AlphaFold model)
Sequence of entity 1 (L), FASTA
>6TKL_1 Prothrombin (chains L)
TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR
Sequence of entity 2 (H), FASTA
>6TKL_2 Prothrombin (chains H)
IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLL
VRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCL
PDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIR
ITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY
THVFRLKKWIQKVIDQFGE
Sequence of entity 3 (I), FASTA
>6TKL_3 Tsetse thrombin inhibitor (chains I)
MKFFTVLFFLLSIIYLIVAAPGEPGAPIDYDEYGDSSEEVGGTPLHEIPGIRL

Ligands and cofactors

IDNameFormulaCopies
NAG2-acetamido-2-deoxy-beta-D-glucopyranoseC8 H15 N O61

Water and common crystallization additives (GOL, NA) are not listed.

Primary citation

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:

Browse structure collections

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