Chlorine 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:

Calcium

(Ca)

1 atom

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Single-Shot Pink Beam Serial Crystallography: Proteinase K, PDB code: 5mjl:

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl302 b:4.9 occ:0.52 HH12 A:ARG147 2.1 6.8 1.0 HH22 A:ARG147 2.4 6.6 1.0 NH1 A:ARG147 2.9 5.6 1.0 O A:SER140 2.9 4.6 1.0 HB3 A:SER143 3.0 5.6 1.0 NH2 A:ARG147 3.1 5.5 1.0 HD13 A:ILE108 3.3 5.3 1.0 HB2 A:ALA144 3.3 5.7 1.0 HB3 A:SER140 3.4 5.3 1.0 CZ A:ARG147 3.4 5.5 1.0 HA A:SER140 3.4 5.3 1.0 HG21 A:ILE108 3.4 4.5 1.0 HH11 A:ARG147 3.5 6.8 1.0 H A:ALA144 3.6 5.5 1.0 HG23 A:ILE108 3.7 4.5 1.0 C A:SER140 3.7 4.8 1.0 HH21 A:ARG147 3.8 6.6 1.0 N A:ALA144 3.9 4.6 1.0 CA A:SER140 3.9 4.4 1.0 CB A:SER143 3.9 4.7 1.0 CG2 A:ILE108 4.0 3.8 1.0 CB A:SER140 4.1 4.4 1.0 HA A:ALA144 4.1 5.8 1.0 CB A:ALA144 4.1 4.7 1.0 CD1 A:ILE108 4.2 4.4 1.0 HG A:SER143 4.3 8.7 1.0 CA A:ALA144 4.3 4.8 1.0 OG A:SER143 4.4 7.3 1.0 C A:SER143 4.4 4.8 1.0 HB2 A:SER143 4.4 5.6 1.0 HG12 A:ILE108 4.4 5.0 1.0 HD11 A:ILE108 4.4 5.3 1.0 HG22 A:ILE108 4.6 4.5 1.0 HB3 A:ALA144 4.6 5.7 1.0 NE A:ARG147 4.7 5.9 1.0 CA A:SER143 4.7 4.6 1.0 CG1 A:ILE108 4.8 4.1 1.0 HB1 A:ALA144 4.8 5.7 1.0 HB2 A:SER140 4.8 5.3 1.0 OG A:SER140 4.8 5.2 1.0 HD12 A:ILE108 4.8 5.3 1.0 H A:SER143 4.9 5.8 1.0 N A:VAL141 4.9 5.1 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