5XWJ: Trypsin

Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, TRE, at pH 7. Determined by X-ray diffraction at 1.8 Å resolution. Released 28 Mar 2018.

Method: X-ray diffraction
Resolution: 1.8 Å
Organisms: Sus scrofa, Capsicum annuum
Chains: 4
Atoms: 3,782
Mol. weight: 49.92 kDa
Ligands: CA
Released: 28 Mar 2018

Explore 5XWJ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5XWJ contains 18 α-helices and 40 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.

Chains A and B: 9 helices, 20 β-strands

Element	Residues	Length	Sheet
β-strand	10	1	1
β-strand	13-14	2	2
α-helix	15-16	2
β-strand	23-27	5	3
β-strand	31-39	9	3
β-strand	42-45	4	3
α-helix	47-49	3
β-strand	55-58	4	3
β-strand	62	1	4
β-strand	71-80	10	3
β-strand	94-98	5	3
α-helix	101-104	4
β-strand	112	1	2
α-helix	113-114	2
α-helix	117-119	3
β-strand	123-128	6	2
β-strand	142	1	4
β-strand	144-150	7	2
α-helix	151-152	2
α-helix	153-159	7
β-strand	168-171	4	2
β-strand	179	1	1
β-strand	188-191	4	2
β-strand	194-201	8	2
β-strand	207	1	5
β-strand	210	1	5
β-strand	212-216	5	2
α-helix	217-219	3
α-helix	221-230	10

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Trypsin	A, B	protein	231	Sus scrofa	P00761 (AlphaFold model)
Acetylated-THR-ARG-GLU Inhibitor	C, D	protein	4	Capsicum annuum

Sequence of entity 1 (A, B), FASTA

>5XWJ_1 Trypsin (chains A, B)
FPTDDDDKIVGGYTCAANSIPYQVSLNSGSHFCGGSLINSQWVVSAAHCYKSRIQVRLGE
HNIDVLEGNEQFINAAKIITHPNFNGNTLDNDIMLIKLSSPATLNSRVATVSLPRSCAAA
GTECLISGWGNTKSSGSSYPSLLQCLKAPVLSDSSCKSSYPGQITGNMICVGFLEGGKDS
CQGDSGGPVVCNGQLQGIVSWGYGCAQKNKPGVYTKVCNYVNWIQQTIAAN

Sequence of entity 2 (C, D), FASTA

>5XWJ_2 Acetylated-THR-ARG-GLU Inhibitor (chains C, D)
XTRE

Ligands and cofactors

ID	Name	Formula	Copies
CA	Calcium ion	Ca	2

Water and common crystallization additives (MPD) are not listed.

Primary citation

Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Saikhedkar, N.S., Joshi, R.S., Bhoite, A.S. et al. Insect Biochem Mol Biol (2018) 95:17-25. DOI 10.1016/j.ibmb.2018.02.001 · PubMed

Other PDB entries of the same protein (UniProt P00761 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9PDA 1.18 Å, Structure of Porcine Trypsin Crystals Grown From PEG and Complexed With Crystallization…
1S83 1.25 Å, Porcine trypsin complexed with 4-amino propanol
2A31 1.25 Å, Trypsin in complex with borate
9PDC 1.27 Å, Porcine Trypsin grown from PEG and Complexed with Crystallization Additives II
9PD9 1.28 Å, The Structure of Porcine Trypsin in Complex with Crystallization Additives I
1S5S 1.4 Å, Porcine trypsin complexed with guanidine-3-propanol inhibitor
9PCT 1.41 Å, Structure of Porcine Trypsin Crystals Grown from PEG Complexed with Crystallization…
1S6H 1.45 Å, Porcine trypsin complexed with guanidine-3-propanol inhibitor
1H9H 1.5 Å, Complex of eeti-II with porcine trypsin
2A32 1.5 Å, Trypsin in complex with benzene boronic acid
1FNI 1.6 Å, Crystal structure of porcine beta trypsin with 0.01% polydocanol
1MCT 1.6 Å, The refined 1.6 Å resolution crystal structure of the complex formed between porcine…

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