4XOJ: Bovine trypsin

Structure of bovine trypsin in complex with analogues of sunflower inhibitor 1 (SFTI-1). Determined by X-ray diffraction at 0.91 Å resolution. Released 12 Aug 2015.

Method: X-ray diffraction
Resolution: 0.91 Å
Organisms: Bos taurus, Helianthus annuus
Chains: 2
Atoms: 2,322
Mol. weight: 27.88 kDa
Ligands: CA
Released: 12 Aug 2015

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

Secondary structure: helices and β-sheets

4XOJ contains 7 α-helices and 20 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.

Chain A: 7 helices, 18 β-strands

Element	Residues	Length	Sheet
β-strand	17	1	1
β-strand	20-21	2	2
β-strand	30-34	5	3
β-strand	38-46	9	3
β-strand	49-52	4	3
α-helix	54-56	3
β-strand	62-65	4	3
β-strand	78-87	10	3
β-strand	101-105	5	3
β-strand	112	1	4
β-strand	115	1	4
β-strand	119	1	2
α-helix	120-121	2
α-helix	124-126	3
β-strand	130-135	6	2
β-strand	151-157	7	2
α-helix	158-159	2
α-helix	160-166	7
β-strand	175-178	4	2
β-strand	186	1	1
β-strand	195-198	4	2
β-strand	201-210	10	2
β-strand	219-223	5	2
α-helix	224-227	4
α-helix	228-236	9

Chain B: 0 helices, 2 β-strands

Element	Residues	Length	Sheet
β-strand	2-4	3	2
β-strand	11	1	2

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Cationic trypsin	A	protein	246	Bos taurus	P00760 (AlphaFold model)
Trypsin inhibitor 1	B	protein	13	Helianthus annuus	Q4GWU5 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4XOJ_1 Cationic trypsin (chains A)
MKTFIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVS
AAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLN
SRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQIT
SNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIK
QTIASN

Sequence of entity 2 (B), FASTA

>4XOJ_2 Trypsin inhibitor 1 (chains B)
GRCTKSIPPICFP

Ligands and cofactors

ID	Name	Formula	Copies
CA	Calcium ion	Ca	1

Water and common crystallization additives (NH4, NA, EDO, SO4) are not listed.

Primary citation

Investigation of Serine-Proteinase-Catalyzed Peptide Splicing in Analogues of Sunflower Trypsin Inhibitor 1 (SFTI-1). Karna, N., Legowska, A., Malicki, S. et al. Chembiochem (2015) 16:2036-2045. DOI 10.1002/cbic.201500296 · PubMed

Other PDB entries of the same protein (UniProt P00760 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4I8H 0.75 Å, Bovine trypsin at 0.75 resolution
5MN1 0.79 Å, Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 100 K)
5MNK 0.8 Å, Cationic trypsin in complex with benzylamine (deuterated sample at 100 K)
3MFJ 0.8 Å, Bovine trypsin at 0.8 A resolution, restrained refinement
3MI4 0.8 Å, Bovine trypsin at 0.8 A resolution, non-restrained refinement
4I8G 0.8 Å, Bovine trypsin at 0.8 resolution
4I8K 0.85 Å, Bovine trypsin at 0.85 resolution
5MNN 0.86 Å, Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 100 K)
5MNG 0.86 Å, Cationic trypsin in complex with benzamidine (deuterated sample at 100 K)
4I8J 0.87 Å, Bovine trypsin at 0.87 A resolution
4I8L 0.87 Å, Bovine trypsin at 0.87 resolution
5MNC 0.92 Å, Cationic trypsin in complex with aniline (deuterated sample at 100 K)

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