Calcium in PDB 7z9f: Human Anionic Trypsin After Autoproteolysis at ARG122

All present enzymatic activity of Human Anionic Trypsin After Autoproteolysis at ARG122:
3.4.21.4;

The structure of Human Anionic Trypsin After Autoproteolysis at ARG122, PDB code: 7z9f was solved by F.Nagel, G.J.Palm, M.Delcea, M.Lammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.68 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.06, 80.79, 87.94, 90, 90, 90
R / Rfree (%)	18.7 / 21.9

The binding sites of Calcium atom in the Human Anionic Trypsin After Autoproteolysis at ARG122 (pdb code 7z9f). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Human Anionic Trypsin After Autoproteolysis at ARG122, PDB code: 7z9f:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Human Anionic Trypsin After Autoproteolysis at ARG122


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Anionic Trypsin After Autoproteolysis at ARG122 within 5.0Å range: probe atom residue distance (Å) B Occ X:Ca201 b:17.1 occ:1.00 OE1 X:GLU75 2.3 15.2 1.0 O X:VAL80 2.3 17.4 1.0 O X:ASN77 2.3 16.2 1.0 O X:HOH334 2.4 17.7 1.0 O X:HOH312 2.4 16.1 1.0 OE2 X:GLU85 2.4 17.0 1.0 CD X:GLU75 3.4 15.9 1.0 C X:VAL80 3.4 18.9 1.0 CD X:GLU85 3.4 17.5 1.0 C X:ASN77 3.5 17.1 1.0 CG X:GLU85 3.7 16.0 1.0 OE2 X:GLU75 3.8 15.1 1.0 CA X:LEU81 4.1 17.8 1.0 CA X:ILE78 4.2 14.2 1.0 N X:LEU81 4.2 19.2 1.0 N X:GLU82 4.2 19.7 0.9 N X:VAL80 4.2 18.9 1.0 OE1 X:GLU82 4.3 19.9 0.9 N X:ILE78 4.3 15.0 1.0 N X:ASN77 4.4 15.5 1.0 C X:ILE78 4.4 19.3 1.0 CA X:VAL80 4.5 20.2 1.0 CA X:ASN77 4.5 16.5 1.0 O X:HOH380 4.5 20.2 1.0 CG X:GLU82 4.5 21.9 0.9 OE1 X:GLU85 4.6 21.0 1.0 N X:HIS76 4.6 14.4 1.0 C X:LEU81 4.7 21.3 1.0 CG X:GLU75 4.7 13.3 1.0 O X:HOH400 4.8 25.3 1.0 O X:ILE78 4.8 21.6 1.0 CA X:GLU75 4.8 12.9 1.0 CD X:GLU82 4.8 23.3 0.9 CB X:GLU82 4.8 20.3 0.9 N X:GLU79 4.8 17.6 1.0 CB X:ASN77 4.8 17.5 1.0 CB X:GLU75 4.9 11.3 1.0

Calcium binding site 2 out of 2 in the Human Anionic Trypsin After Autoproteolysis at ARG122


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Anionic Trypsin After Autoproteolysis at ARG122 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:14.1 occ:1.00 O A:ASN77 2.2 14.5 1.0 O A:VAL80 2.3 16.8 1.0 OE1 A:GLU75 2.3 14.1 1.0 OE2 A:GLU85 2.4 13.5 1.0 O A:HOH367 2.5 16.0 1.0 O A:HOH316 2.5 14.2 1.0 CD A:GLU85 3.4 16.2 1.0 C A:ASN77 3.4 15.7 1.0 CD A:GLU75 3.4 16.4 1.0 C A:VAL80 3.4 18.1 1.0 CG A:GLU85 3.7 15.5 1.0 OE2 A:GLU75 3.9 13.9 1.0 CA A:ILE78 4.2 14.2 1.0 CA A:LEU81 4.2 15.8 1.0 N A:VAL80 4.2 18.8 1.0 N A:GLU82 4.2 17.2 1.0 N A:LEU81 4.2 16.0 1.0 OE2 A:GLU82 4.2 16.8 1.0 N A:ILE78 4.2 15.9 1.0 N A:ASN77 4.3 12.4 1.0 CA A:ASN77 4.4 15.0 1.0 CA A:VAL80 4.4 16.2 1.0 C A:ILE78 4.5 19.2 1.0 CG A:GLU82 4.5 18.6 1.0 OE1 A:GLU85 4.5 17.1 1.0 O A:HOH363 4.5 18.0 1.0 N A:HIS76 4.5 12.3 1.0 CG A:GLU75 4.7 13.3 1.0 C A:LEU81 4.7 18.4 1.0 CB A:ASN77 4.7 16.7 1.0 CD A:GLU82 4.7 18.1 1.0 O A:HOH403 4.8 21.9 1.0 CA A:GLU75 4.8 12.4 1.0 CB A:GLU82 4.8 17.1 1.0 N A:GLU79 4.9 17.9 1.0 CB A:GLU75 4.9 13.4 1.0 O A:ILE78 4.9 18.0 1.0

F.Nagel, A.Susemihl, N.Geist, K.Mohlis, G.J.Palm, M.Lammers, M.Delcea. Structural Basis of the Pancreatitis-Associated Autoproteolytic Failsafe Mechanism in Human Anionic Trypsin. J Inflamm Res V. 15 3633 2022.
ISSN: ISSN 1178-7031
PubMed: 35775010
DOI: 10.2147/JIR.S367699