Calcium in PDB 6qxv: Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips)

All present enzymatic activity of Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips):
3.4.21.64;

The structure of Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips), PDB code: 6qxv was solved by A.Tolstikova, D.Oberthuer, A.Meents, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.70 / 1.94
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.620, 68.620, 104.520, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 22.7

The structure of Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips) also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Calcium atom in the Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips) (pdb code 6qxv). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips), PDB code: 6qxv:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:38.9 occ:1.00 CL A:CL316 2.7 36.1 1.0 OG1 A:THR179 2.7 19.4 1.0 O A:GLU174 2.8 20.7 1.0 HG1 A:THR179 2.8 23.2 1.0 O A:VAL177 2.9 17.7 1.0 HA A:PRO175 3.0 27.4 0.8 HG22 A:VAL198 3.0 38.3 1.0 O A:HOH401 3.0 30.3 1.0 OD2 A:ASP200 3.0 16.3 1.0 HA A:PRO175 3.1 27.7 0.2 HB A:THR179 3.3 27.4 1.0 O A:VAL198 3.4 21.0 1.0 O A:PRO175 3.4 27.0 0.2 H A:THR179 3.4 19.2 1.0 CB A:THR179 3.6 22.9 1.0 O A:PRO175 3.7 27.0 0.8 CA A:PRO175 3.8 22.9 0.8 C A:GLU174 3.8 21.0 1.0 H A:VAL177 3.8 17.2 1.0 C A:PRO175 3.8 20.0 0.2 HG23 A:VAL177 3.8 24.7 1.0 CA A:PRO175 3.8 23.1 0.2 CG2 A:VAL198 3.8 32.0 1.0 C A:VAL177 3.8 14.5 1.0 HG23 A:VAL198 3.8 38.3 1.0 HG22 A:VAL177 3.9 24.7 1.0 C A:PRO175 3.9 19.6 0.8 N A:THR179 3.9 16.1 1.0 O A:ALA172 3.9 15.8 1.0 CG A:ASP200 4.1 19.3 1.0 HG21 A:VAL198 4.2 38.3 1.0 N A:PRO175 4.3 24.5 0.8 N A:PRO175 4.3 24.3 0.2 HA A:CYS178 4.3 21.5 1.0 CG2 A:VAL177 4.3 20.6 1.0 N A:VAL177 4.3 14.4 1.0 OD1 A:ASP200 4.4 27.5 1.0 CA A:THR179 4.4 14.1 1.0 O3 A:SO4312 4.5 70.4 1.0 O A:HOH533 4.6 30.8 1.0 C A:VAL198 4.6 23.3 1.0 CA A:VAL177 4.6 15.0 1.0 N A:CYS178 4.7 20.9 1.0 C A:CYS178 4.7 14.1 1.0 HG21 A:THR179 4.7 21.4 1.0 CA A:CYS178 4.8 17.9 1.0 N A:SER176 4.8 16.2 1.0 CG2 A:THR179 4.8 17.9 1.0 HG13 A:VAL198 4.9 23.5 1.0 N A:GLU174 4.9 18.4 1.0 HA A:VAL198 4.9 23.0 1.0 HA A:THR179 4.9 16.9 1.0 H A:GLU174 4.9 22.0 1.0 CA A:GLU174 4.9 21.8 1.0

Calcium binding site 2 out of 2 in the Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca313 b:47.5 occ:1.00 H A:GLY41 2.1 20.5 1.0 HA2 A:GLY41 2.7 13.3 1.0 HB3 A:ASP39 2.7 19.5 1.0 N A:GLY41 2.8 17.1 1.0 H A:ASP39 2.9 25.8 1.0 O A:VAL37 3.0 14.1 1.0 CA A:GLY41 3.0 11.2 1.0 O A:GLY41 3.2 15.5 1.0 C A:GLY41 3.2 16.7 1.0 HG13 A:ILE42 3.3 21.5 1.0 N A:ASP39 3.3 21.5 1.0 CB A:ASP39 3.4 16.3 1.0 O A:VAL93 3.4 15.1 1.0 H A:VAL93 3.4 25.0 1.0 C A:ASP39 3.4 18.6 1.0 CA A:ASP39 3.5 17.3 1.0 HB2 A:ASP39 3.6 19.5 1.0 HA2 A:GLY92 3.7 23.8 1.0 N A:THR40 3.7 15.8 1.0 HG12 A:VAL37 3.8 35.1 1.0 O A:ASP39 3.8 19.9 1.0 C A:VAL37 3.8 15.3 1.0 HA3 A:GLY70 3.9 17.2 1.0 H A:THR40 3.9 19.0 1.0 HA A:LYS94 3.9 9.5 1.0 N A:VAL93 3.9 20.9 1.0 HA3 A:GLY41 3.9 13.3 1.0 HB A:VAL37 3.9 19.9 1.0 C A:VAL93 4.0 19.7 1.0 C A:THR40 4.0 13.2 1.0 HA A:ILE38 4.0 18.5 1.0 HA3 A:GLY92 4.1 23.8 1.0 CG1 A:ILE42 4.1 18.0 1.0 HE1 A:MET55 4.1 26.3 1.0 HG12 A:ILE42 4.1 21.5 1.0 N A:ILE42 4.2 16.6 1.0 C A:ILE38 4.2 13.7 1.0 CA A:GLY92 4.3 19.9 1.0 N A:ILE38 4.4 15.2 1.0 CA A:ILE38 4.4 15.4 1.0 HD11 A:ILE42 4.4 20.3 1.0 CA A:THR40 4.5 16.3 1.0 H A:ILE42 4.5 19.8 1.0 C A:GLY92 4.5 17.8 1.0 HA A:ASP39 4.5 20.7 1.0 CG1 A:VAL37 4.5 29.3 1.0 CB A:VAL37 4.6 16.6 1.0 N A:LYS94 4.6 16.3 1.0 HA2 A:GLY70 4.6 17.2 1.0 CA A:VAL93 4.6 16.2 1.0 CA A:GLY70 4.7 14.4 1.0 CA A:LYS94 4.7 8.0 1.0 CG A:ASP39 4.7 23.8 1.0 HG11 A:VAL37 4.8 35.1 1.0 HB2 A:LYS94 4.8 14.8 1.0 CD1 A:ILE42 4.8 16.9 1.0 CA A:VAL37 4.8 19.6 1.0 CE A:MET55 5.0 22.0 1.0

A.Tolstikova, M.Levantino, O.Yefanov, V.Hennicke, P.Fischer, J.Meyer, A.Mozzanica, S.Redford, E.Crosas, N.L.Opara, M.Barthelmess, J.Lieske, D.Oberthuer, E.Wator, I.Mohacsi, M.Wulff, B.Schmitt, H.N.Chapman, A.Meents. 1 Khz Fixed-Target Serial Crystallography Using A Multilayer Monochromator and An Integrating Pixel Detector. Iucrj V. 6 927 2019.
ISSN: ESSN 2052-2525
PubMed: 31576225
DOI: 10.1107/S205225251900914X