4U30: Human mesotrypsin

Human mesotrypsin complexed with bikunin Kunitz domain 2. Determined by X-ray diffraction at 2.5 Å resolution. Released 15 Oct 2014.

Method: X-ray diffraction
Resolution: 2.5 Å
Organism: Homo sapiens
Chains: 8
Atoms: 8,766
Mol. weight: 123.01 kDa
Ligands: CA
Released: 15 Oct 2014

Explore 4U30 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4U30 contains 38 α-helices and 102 β-strands across 8 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.

Chains A and C: 9 helices, 22 β-strands

Element	Residues	Length	Sheet
β-strand	17	1	1
β-strand	20-21	2	2
α-helix	22-23	2
β-strand	30-34	5	3
β-strand	40-48	9	3
β-strand	51-54	4	3
α-helix	56-58	3
β-strand	64-67	4	3
β-strand	72	1	4
β-strand	81-90	10	3
β-strand	104-108	5	3
α-helix	111-114	4
β-strand	115	1	5
β-strand	118	1	5
β-strand	122	1	2
α-helix	123-124	2
α-helix	128-130	3
β-strand	135-140	6	2
β-strand	154	1	4
β-strand	156-162	7	2
α-helix	163-164	2
α-helix	165-171	7
β-strand	180-183	4	2
β-strand	189	1	1
β-strand	198-201	4	2
β-strand	204-215	8	2
β-strand	221	1	6
β-strand	224	1	6
β-strand	226-230	5	2
α-helix	231-234	4
α-helix	235-244	10

Chain B: 8 helices, 20 β-strands

Element	Residues	Length	Sheet
β-strand	17	1	7
β-strand	20-21	2	8
α-helix	22-23	2
β-strand	30-34	5	9
β-strand	40-48	9	9
β-strand	51-54	4	9
α-helix	56-58	3
β-strand	64-67	4	9
β-strand	72	1	10
β-strand	81-90	10	9
β-strand	104-108	5	9
β-strand	122	1	8
α-helix	123-124	2
α-helix	128-130	3
β-strand	135-140	6	8
β-strand	154	1	10
β-strand	156-162	7	8
α-helix	163-164	2
α-helix	165-171	7
β-strand	180-183	4	8
β-strand	189	1	7
β-strand	198-201	4	8
β-strand	204-215	8	8
β-strand	221	1	11
β-strand	224	1	11
β-strand	226-230	5	8
α-helix	231-234	4
α-helix	235-244	10

Chain D: 8 helices, 22 β-strands

Element	Residues	Length	Sheet
β-strand	17	1	18
β-strand	20-21	2	19
α-helix	22-23	2
β-strand	30-34	5	20
β-strand	40-48	9	20
β-strand	51-54	4	20
α-helix	56-58	3
β-strand	64-67	4	20
β-strand	72	1	21
β-strand	81-90	10	20
β-strand	104-108	5	20
β-strand	115	1	22
β-strand	118	1	22
β-strand	122	1	19
α-helix	123-124	2
α-helix	128-130	3
β-strand	135-140	6	19
β-strand	154	1	21
β-strand	156-162	7	19
α-helix	163-164	2
α-helix	165-171	7
β-strand	180-183	4	19
β-strand	189	1	18
β-strand	198-201	4	19
β-strand	204-215	8	19
β-strand	221	1	23
β-strand	224	1	23
β-strand	226-230	5	19
α-helix	231-234	4
α-helix	235-244	10

Chains W, X, Y and Z: 1 helix, 4 β-strands

Element	Residues	Length	Sheet
β-strand	14	1	13
β-strand	18-24	7	27
β-strand	29-35	7	27
β-strand	45	1	27
α-helix	48-55	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Trypsin-3	A, B, C, D	protein	224	Homo sapiens	P35030 (AlphaFold model)
Trypstatin	W, X, Y, Z	protein	59	Homo sapiens	P02760 (AlphaFold model)

Sequence of entity 1 (A, B, C, D), FASTA

>4U30_1 Trypsin-3 (chains A, B, C, D)
IVGGYTCEENSLPYQVSLNSGSHFCGGSLISEQWVVSAAHCYKTRIQVRLGEHNIKVLEG
NEQFINAAKIIRHPKYNRDTLDNDIMLIKLSSPAVINARVSTISLPTAPPAAGTECLISG
WGNTLSFGADYPDELKCLDAPVLTQAECKASYPGKITNSMFCVGFLEGGKDSCQRDAGGP
VVCNGQLQGVVSWGHGCAWKNRPGVYTKVYNYVDWIKDTIAANS

Sequence of entity 2 (W, X, Y, Z), FASTA

>4U30_2 Trypstatin (chains W, X, Y, Z)
TVAACANLPIVRGPCRAFIQLWAFDAVKGKCVLFPYGGCQGNGNKFYSEKECREYCGVP

Ligands and cofactors

ID	Name	Formula	Copies
CA	Calcium ion	Ca	4

Primary citation

Sequence and Conformational Specificity in Substrate Recognition: SEVERAL HUMAN KUNITZ PROTEASE INHIBITOR DOMAINS ARE SPECIFIC SUBSTRATES OF MESOTRYPSIN. Pendlebury, D., Wang, R., Henin, R.D. et al. J Biol Chem (2014) 289:32783-32797. DOI 10.1074/jbc.M114.609560 · PubMed

Other PDB entries of the same protein (UniProt P35030 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5TP0 1.25 Å, Human mesotrypsin in complex with diminazene
3P95 1.3 Å, Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor variant…
2R9P 1.4 Å, Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor(BPTI)
4DG4 1.4 Å, Human mesotrypsin-S39Y complexed with bovine pancreatic trypsin inhibitor (BPTI)
5JBT 1.4 Å, Mesotrypsin in complex with cleaved amyloid precursor like protein 2 inhibitor (APLP2)
3P92 1.6 Å, Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor variant…
9BOT 1.6 Å, Human mesotrypsin (PRSS3) unliganded and in autoinhibited (E*) conformation
4U32 1.65 Å, Human mesotrypsin complexed with HAI-2 Kunitz domain 1
1H4W 1.7 Å, Structure of human trypsin IV (brain trypsin)
9BOS 1.7 Å, Human mesotrypsin (PRSS3) unliganded and in an active (E) conformation
5C67 1.83 Å, Human Mesotrypsin in complex with amyloid precursor protein inhibitor variant…
6BX8 1.98 Å, Human Mesotrypsin (PRSS3) Complexed with Tissue Factor Pathway Inhibitor Variant…

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