Calcium in PDB 9ct1: Complex Between the Porcine Trypsin and M271 A Kunitz-Sti From Solanum Tuberosum

All present enzymatic activity of Complex Between the Porcine Trypsin and M271 A Kunitz-Sti From Solanum Tuberosum:
3.4.21.4;

The structure of Complex Between the Porcine Trypsin and M271 A Kunitz-Sti From Solanum Tuberosum, PDB code: 9ct1 was solved by A.Campuzano-Gonzalez, E.Rudino-Pinera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.80 / 2.42
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.249, 85.887, 186.063, 90, 90, 90
R / Rfree (%)	18.3 / 24.4

The binding sites of Calcium atom in the Complex Between the Porcine Trypsin and M271 A Kunitz-Sti From Solanum Tuberosum (pdb code 9ct1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Complex Between the Porcine Trypsin and M271 A Kunitz-Sti From Solanum Tuberosum, PDB code: 9ct1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Complex Between the Porcine Trypsin and M271 A Kunitz-Sti From Solanum Tuberosum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Complex Between the Porcine Trypsin and M271 A Kunitz-Sti From Solanum Tuberosum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:34.2 occ:1.00 OE1 A:GLU52 2.1 43.5 1.0 O A:ASN54 2.2 33.8 1.0 OE2 A:GLU62 2.3 29.3 1.0 O A:VAL57 2.5 31.4 1.0 O A:HOH451 2.5 22.0 1.0 O A:HOH459 3.0 32.2 1.0 CD A:GLU52 3.2 34.0 1.0 CD A:GLU62 3.4 33.7 1.0 C A:ASN54 3.4 29.0 1.0 C A:VAL57 3.5 26.1 1.0 CG A:GLU62 3.9 30.0 1.0 N A:GLU59 3.9 24.1 1.0 OE2 A:GLU52 4.0 35.1 1.0 CA A:LEU58 4.1 31.5 1.0 CG A:GLU52 4.1 40.2 1.0 N A:ASN54 4.2 23.6 1.0 CA A:ASN54 4.2 25.8 1.0 N A:LEU58 4.2 32.0 1.0 CB A:ASN54 4.4 22.2 1.0 N A:VAL57 4.4 34.0 1.0 N A:ILE55 4.4 21.7 1.0 OE1 A:GLU62 4.4 40.0 1.0 CA A:ILE55 4.5 26.6 1.0 C A:LEU58 4.5 33.3 1.0 CA A:VAL57 4.6 25.1 1.0 N A:HIS53 4.6 27.1 1.0 C A:ILE55 4.7 27.6 1.0 NH2 A:ARG99 4.8 44.3 1.0 CB A:GLU59 4.8 35.5 1.0 CA A:GLU52 5.0 29.6 1.0 CA A:GLU59 5.0 26.9 1.0

Calcium binding site 2 out of 2 in the Complex Between the Porcine Trypsin and M271 A Kunitz-Sti From Solanum Tuberosum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Complex Between the Porcine Trypsin and M271 A Kunitz-Sti From Solanum Tuberosum within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca301 b:36.1 occ:1.00 OE2 C:GLU62 2.2 26.8 1.0 O C:ASN54 2.3 30.4 1.0 O C:VAL57 2.4 27.4 1.0 OE2 C:GLU52 2.5 33.5 1.0 O C:HOH421 2.8 31.1 1.0 CD C:GLU62 3.3 37.6 1.0 C C:ASN54 3.4 28.6 1.0 CD C:GLU52 3.6 34.7 1.0 C C:VAL57 3.6 29.1 1.0 CG C:GLU62 3.8 31.7 1.0 N C:ASN54 3.9 30.9 1.0 N C:GLU59 3.9 27.1 1.0 CA C:ASN54 4.0 28.5 1.0 CB C:ASN54 4.1 23.3 1.0 OE1 C:GLU52 4.1 41.2 1.0 CA C:LEU58 4.3 28.4 1.0 OE1 C:GLU62 4.4 37.0 1.0 N C:LEU58 4.4 21.2 1.0 N C:HIS53 4.4 30.8 1.0 N C:VAL57 4.4 27.8 1.0 N C:ILE55 4.4 21.2 1.0 CB C:GLU59 4.6 34.0 1.0 CA C:VAL57 4.6 34.7 1.0 CA C:ILE55 4.6 25.6 1.0 C C:LEU58 4.6 32.5 1.0 CA C:GLU52 4.7 31.7 1.0 CG C:GLU52 4.7 32.1 1.0 C C:ILE55 4.9 32.5 1.0 CA C:GLU59 4.9 27.8 1.0 CB C:GLU52 4.9 29.6 1.0

A.Campuzano-Gonzalez, P.Gil-Rodriguez, A.X.Quintana-Armas, Y.Guerra, Y.Perez, E.Rudino-Pinera. Structural Determination of A New Non-Canonical Inhibition Complex Between Porcine Trypsin and M271 A Potato Kunitz-Sti Inhibitor. Biochem.Biophys.Res.Commun. 51818 2025.
ISSN: ESSN 1090-2104
DOI: 10.1016/J.BBRC.2025.151818