8G1W: Crystal Structure Matriptase

Crystal Structure Matriptase (C731S) in Complex with Inhibitor VD4162B. Determined by X-ray diffraction at 1.2 Å resolution. Released 7 Feb 2024.

Method: X-ray diffraction
Resolution: 1.2 Å
Organisms: Homo sapiens, synthetic construct
Chains: 3
Atoms: 2,240
Mol. weight: 28.05 kDa
Released: 7 Feb 2024

Explore 8G1W in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8G1W contains 10 α-helices and 22 β-strands across 1 chain. 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 A: 10 helices, 22 β-strands

Element	Residues	Length	Sheet
β-strand	616	1	1
β-strand	619-620	2	2
α-helix	621-622	2
β-strand	629-634	6	3
β-strand	638-645	8	3
β-strand	650-653	4	3
α-helix	655-658	4
β-strand	661	1	4
β-strand	664	1	4
α-helix	669-671	3
β-strand	672-676	5	3
β-strand	680	1	5
β-strand	690-699	10	3
β-strand	713-717	5	3
α-helix	729-730	2
β-strand	731	1	2
α-helix	732-734	3
β-strand	744-749	6	2
β-strand	752	1	6
β-strand	759	1	6
β-strand	762	1	5
β-strand	764-770	7	2
α-helix	771-772	2
α-helix	773-779	7
β-strand	788-792	5	2
β-strand	799	1	1
α-helix	807	1
β-strand	808-812	5	2
β-strand	818-826	9	2
β-strand	837-840	4	2
α-helix	843-845	3
α-helix	846-853	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Suppressor of tumorigenicity 14 protein	A	protein	241	Homo sapiens	Q9Y5Y6 (AlphaFold model)
Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(THZ)	M	protein	5	synthetic construct
Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(KCM)	L	protein	5	synthetic construct

Sequence of entity 1 (A), FASTA

>8G1W_1 Suppressor of tumorigenicity 14 protein (chains A)
VVGGTDADEGEWPWQVSLHALGQGHICGASLISPNWLVSAAHCYIDDRGFRYSDPTQWTA
FLGLHDQSQRSAPGVQERRLKRIISHPFFNDFTFDYDIALLELEKPAEYSSMVRPISLPD
ASHVFPAGKAIWVTGWGHTQYGGTGALILQKGEIRVINQTTCENLLPQQITPRMMCVGFL
SGGVDSCQGDSGGPLSSVEADGRIFQAGVVSWGDGCAQRNKPGVYTRLPLFRDWIKENTG
V

Sequence of entity 2 (M), FASTA

>8G1W_2 Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(THZ) (chains M)
XYWLR

Sequence of entity 3 (L), FASTA

>8G1W_3 Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(KCM) (chains L)
XYWLX

Primary citation

Mechanism-Based Macrocyclic Inhibitors of Serine Proteases. Damalanka, V.C., Banas, V., De Bona, P. et al. J Med Chem (2024) 67:4833-4854. DOI 10.1021/acs.jmedchem.3c02388 · PubMed

Other PDB entries of the same protein (UniProt Q9Y5Y6 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3NCL 1.19 Å, Crystal Structure of MT-SP1 bound to Benzamidine Phosphonate Inhibitor
3P8G 1.2 Å, Crystal Structure of MT-SP1 in complex with benzamidine
1EAX 1.3 Å, Crystal structure of MTSP1 (matriptase)
8G1V 1.35 Å, Crystal Structure Matriptase (C731S) in Complex with Inhibitor MM1132-2
4IS5 1.48 Å, Crystal Structure of the ligand-free inactive Matriptase
3NPS 1.5 Å, Crystal structure of membrane-type serine protease 1 (MT-SP1) in complex with the Fab…
6T9T 1.69 Å, Matriptase in complex with the synthetic inhibitor (S)-3-(3-(4-(3-(tert-butyl)ureido)pipe…
4JZ1 1.9 Å, Crystal Structure of Matriptase in complex with Inhibitor
4O9V 1.9 Å, Crystal structure of matriptase in complex with inhibitor
4R0I 1.9 Å, Crystal structure of matriptase in complex with inhibitor
6N4T 1.95 Å, Crystal structure of Matriptase1 in complex with a peptidomimetic benzothiazole
3P8F 2.0 Å, Crystal Structure of MT-SP1 in complex with SFTI-1

Browse structure collections

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