Calcium in PDB 5mjl: Single-Shot Pink Beam Serial Crystallography: Proteinase K

All present enzymatic activity of Single-Shot Pink Beam Serial Crystallography: Proteinase K:
3.4.21.64;

The structure of Single-Shot Pink Beam Serial Crystallography: Proteinase K, PDB code: 5mjl was solved by A.Meents, D.Oberthuer, J.Lieske, V.Srajer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.11 / 2.21
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.300, 68.300, 108.300, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 19.5

The structure of Single-Shot Pink Beam Serial Crystallography: Proteinase K also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Single-Shot Pink Beam Serial Crystallography: Proteinase K (pdb code 5mjl). 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 Single-Shot Pink Beam Serial Crystallography: Proteinase K, PDB code: 5mjl:

Calcium binding site 1 out of 1 in the Single-Shot Pink Beam Serial Crystallography: Proteinase K


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Single-Shot Pink Beam Serial Crystallography: Proteinase K within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:2.9 occ:1.00 O A:HOH577 2.4 5.0 1.0 O A:VAL177 2.4 3.6 1.0 O A:PRO175 2.5 4.5 1.0 OD2 A:ASP200 2.5 2.6 1.0 O A:HOH482 2.6 4.0 1.0 O A:HOH448 2.6 3.8 1.0 OD1 A:ASP200 2.6 3.9 1.0 O A:HOH592 2.8 4.3 1.0 CG A:ASP200 2.9 3.7 1.0 C A:PRO175 3.5 4.7 1.0 HA A:PRO175 3.6 6.4 1.0 C A:VAL177 3.7 3.6 1.0 HA A:CYS178 3.7 4.3 1.0 H A:THR179 4.1 3.6 1.0 CA A:PRO175 4.1 5.3 1.0 H A:VAL177 4.2 4.4 1.0 N A:VAL177 4.3 3.6 1.0 O A:HOH546 4.3 12.3 1.0 O A:VAL198 4.3 4.5 1.0 CB A:ASP200 4.4 3.1 1.0 CA A:CYS178 4.5 3.6 1.0 N A:CYS178 4.5 2.9 1.0 O A:HOH557 4.6 4.9 1.0 C A:SER176 4.6 4.6 1.0 N A:SER176 4.6 5.0 1.0 O A:GLU174 4.6 5.2 1.0 CA A:VAL177 4.6 3.7 1.0 HB2 A:ASP200 4.7 3.7 1.0 HB3 A:ASP200 4.7 3.7 1.0 HA A:SER176 4.8 5.4 1.0 N A:THR179 4.8 3.0 1.0 HB2 A:PRO175 4.8 7.3 1.0 HG22 A:VAL198 4.8 6.0 1.0 O A:HOH645 4.9 5.5 1.0 CA A:SER176 4.9 4.5 1.0 SG A:CYS249 4.9 3.4 1.0 O A:HOH506 4.9 4.1 1.0 O A:HOH691 4.9 5.4 1.0 O A:HOH510 5.0 4.7 1.0 CB A:PRO175 5.0 6.1 1.0 HG23 A:VAL198 5.0 6.0 1.0

A.Meents, M.O.Wiedorn, V.Srajer, R.Henning, I.Sarrou, J.Bergtholdt, M.Barthelmess, P.Y.A.Reinke, D.Dierksmeyer, A.Tolstikova, S.Schaible, M.Messerschmidt, C.M.Ogata, D.J.Kissick, M.H.Taft, D.J.Manstein, J.Lieske, D.Oberthuer, R.F.Fischetti, H.N.Chapman. Pink-Beam Serial Crystallography. Nat Commun V. 8 1281 2017.
ISSN: ESSN 2041-1723
PubMed: 29097720
DOI: 10.1038/S41467-017-01417-3