Calcium in PDB 6har: Crystal Structure of Mesotrypsin in Complex with Appi-M17C/I18F/F34C

The structure of Crystal Structure of Mesotrypsin in Complex with Appi-M17C/I18F/F34C, PDB code: 6har was solved by A.Shahar, I.Cohen, E.Radisky, N.Papo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.47 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.091, 82.781, 46.559, 90.00, 93.63, 90.00
R / Rfree (%)	16.9 / 19.3

The binding sites of Calcium atom in the Crystal Structure of Mesotrypsin in Complex with Appi-M17C/I18F/F34C (pdb code 6har). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Mesotrypsin in Complex with Appi-M17C/I18F/F34C, PDB code: 6har:

Calcium binding site 1 out of 1 in the Crystal Structure of Mesotrypsin in Complex with Appi-M17C/I18F/F34C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Mesotrypsin in Complex with Appi-M17C/I18F/F34C within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:22.5 occ:1.00 O A:VAL75 2.2 21.8 1.0 O A:ASN72 2.3 17.4 1.0 OE2 A:GLU70 2.3 17.0 1.0 OE2 A:GLU80 2.4 23.9 1.0 O A:HOH565 2.5 21.2 1.0 O A:HOH412 2.6 21.4 1.0 CD A:GLU70 3.4 21.0 1.0 C A:VAL75 3.4 22.2 1.0 CD A:GLU80 3.4 24.4 1.0 C A:ASN72 3.5 19.7 1.0 OE1 A:GLU70 3.7 20.2 1.0 CG A:GLU80 3.8 18.7 1.0 CG A:GLU77 4.1 36.4 0.6 N A:ASN72 4.2 15.5 1.0 N A:VAL75 4.2 22.5 1.0 N A:GLU77 4.3 28.5 1.0 N A:LEU76 4.3 25.0 1.0 CA A:LEU76 4.3 31.4 1.0 CA A:ASN72 4.3 17.6 1.0 CA A:VAL75 4.4 23.7 1.0 N A:ILE73 4.4 19.4 1.0 O A:HOH410 4.4 26.2 1.0 CA A:ILE73 4.4 16.3 1.0 OE1 A:GLU80 4.5 25.3 1.0 N A:HIS71 4.6 18.4 1.0 C A:ILE73 4.6 19.0 1.0 OE1 A:GLU77 4.7 40.6 0.6 CB A:ASN72 4.7 20.2 1.0 CG A:GLU70 4.7 19.8 1.0 CA A:GLU70 4.8 14.3 1.0 CB A:VAL75 4.8 29.1 1.0 CD A:GLU77 4.8 41.5 0.6 C A:LEU76 4.8 33.0 1.0 CB A:GLU70 5.0 17.5 1.0 O A:ILE73 5.0 19.9 1.0 N A:LYS74 5.0 18.1 1.0

I.Cohen, M.Coban, A.Shahar, B.Sankaran, A.Hockla, S.Lacham, T.R.Caulfield, E.S.Radisky, N.Papo. Disulfide Engineering of Human Kunitz-Type Serine Protease Inhibitors Enhances Proteolytic Stability and Target Affinity Toward Mesotrypsin. J.Biol.Chem. V. 294 5105 2019.
ISSN: ESSN 1083-351X
PubMed: 30700553
DOI: 10.1074/JBC.RA118.007292