Calcium in PDB 6fjs: Proteinase~K Siras Phased Structure of Room-Temperature, Serially Collected Synchrotron Data

All present enzymatic activity of Proteinase~K Siras Phased Structure of Room-Temperature, Serially Collected Synchrotron Data:
3.4.21.64;

The structure of Proteinase~K Siras Phased Structure of Room-Temperature, Serially Collected Synchrotron Data, PDB code: 6fjs was solved by S.Botha, D.Baitan, K.E.J.Jungnickel, D.Oberthuer, C.Schmidt, S.Stern, M.O.Wiedorn, M.Perbandt, H.N.Chapman, C.Betzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.18 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.550, 67.550, 107.400, 90.00, 90.00, 90.00
R / Rfree (%)	14.2 / 17.1

The binding sites of Calcium atom in the Proteinase~K Siras Phased Structure of Room-Temperature, Serially Collected Synchrotron Data (pdb code 6fjs). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Proteinase~K Siras Phased Structure of Room-Temperature, Serially Collected Synchrotron Data, PDB code: 6fjs:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Proteinase~K Siras Phased Structure of Room-Temperature, Serially Collected Synchrotron Data


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Proteinase~K Siras Phased Structure of Room-Temperature, Serially Collected Synchrotron Data within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:39.6 occ:1.00 O A:HOH474 2.4 34.4 1.0 O A:THR16 2.4 24.8 1.0 O A:HOH493 2.5 36.0 1.0 OD2 A:ASP260 2.5 32.4 1.0 O A:HOH514 2.5 35.1 1.0 OD1 A:ASP260 2.6 28.2 1.0 CG A:ASP260 2.9 27.0 1.0 C A:THR16 3.6 21.9 1.0 CB A:ASP260 4.3 23.2 1.0 CA A:THR16 4.4 20.4 1.0 CB A:THR16 4.4 20.4 1.0 N A:SER17 4.5 21.2 1.0 ND2 A:ASN257 4.5 16.4 1.0 CA A:SER17 4.5 22.7 1.0 NH2 A:ARG12 4.7 14.8 1.0 CG A:ASN257 4.7 17.5 1.0 CB A:ASN257 4.9 16.7 1.0 CB A:SER17 5.0 25.4 1.0

Calcium binding site 2 out of 2 in the Proteinase~K Siras Phased Structure of Room-Temperature, Serially Collected Synchrotron Data


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Proteinase~K Siras Phased Structure of Room-Temperature, Serially Collected Synchrotron Data within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:10.3 occ:1.00 O A:PRO175 2.4 11.4 1.0 O A:HOH484 2.4 16.0 1.0 OD2 A:ASP200 2.4 9.8 1.0 O A:VAL177 2.4 11.3 1.0 O A:HOH434 2.4 12.0 1.0 O A:HOH413 2.5 11.2 1.0 O A:HOH495 2.5 13.2 1.0 OD1 A:ASP200 2.7 13.4 1.0 CG A:ASP200 2.8 11.4 1.0 C A:PRO175 3.4 12.0 1.0 C A:VAL177 3.6 10.3 1.0 CA A:PRO175 4.1 13.0 1.0 N A:VAL177 4.2 11.0 1.0 O A:VAL198 4.3 14.2 1.0 CB A:ASP200 4.3 11.4 1.0 C A:SER176 4.4 11.9 1.0 O A:GLU174 4.4 11.2 1.0 CA A:CYS178 4.4 9.7 1.0 N A:SER176 4.5 11.1 1.0 N A:CYS178 4.5 9.2 1.0 O A:HOH515 4.5 32.4 1.0 N A:THR179 4.6 8.8 1.0 CA A:VAL177 4.6 10.5 1.0 CA A:SER176 4.7 11.7 1.0 OG1 A:THR179 4.7 8.9 1.0 O A:HOH426 4.7 28.5 1.0 O A:HOH449 4.7 17.0 1.0 SG A:CYS249 4.9 12.8 1.0 O A:SER176 5.0 12.8 1.0

S.Botha, D.Baitan, K.E.J.Jungnickel, D.Oberthur, C.Schmidt, S.Stern, M.O.Wiedorn, M.Perbandt, H.N.Chapman, C.Betzel. De Novoprotein Structure Determination By Heavy-Atom Soaking in Lipidic Cubic Phase and Siras Phasing Using Serial Synchrotron Crystallography. Iucrj V. 5 524 2018.
ISSN: ESSN 2052-2525
PubMed: 30224955
DOI: 10.1107/S2052252518009223