Calcium in PDB 6rj7: Crystal Structure of the 19F Labelled Oxa-48

All present enzymatic activity of Crystal Structure of the 19F Labelled Oxa-48:
3.5.2.6;

The structure of Crystal Structure of the 19F Labelled Oxa-48, PDB code: 6rj7 was solved by J.Brem, C.Lohans, C.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.40 / 1.73
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.360, 58.030, 66.430, 90.00, 91.49, 90.00
R / Rfree (%)	17.7 / 21

The structure of Crystal Structure of the 19F Labelled Oxa-48 also contains other interesting chemical elements:

Fluorine	(F)	6 atoms
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the Crystal Structure of the 19F Labelled Oxa-48 (pdb code 6rj7). 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 the 19F Labelled Oxa-48, PDB code: 6rj7:

Calcium binding site 1 out of 1 in the Crystal Structure of the 19F Labelled Oxa-48


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 the 19F Labelled Oxa-48 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:47.3 occ:1.00 HH21 A:ARG186 2.4 28.6 1.0 OG A:SER184 3.0 26.9 1.0 HD3 A:ARG186 3.0 30.2 1.0 HG A:SER184 3.1 32.3 1.0 NH2 A:ARG186 3.2 23.8 1.0 HB3 A:ARG186 3.2 31.1 1.0 OG A:SER187 3.3 22.2 0.5 HH22 A:ARG186 3.4 28.6 1.0 O A:HOH563 3.4 48.2 1.0 HB3 A:SER187 3.6 25.2 0.5 HG A:SER187 3.6 26.8 0.5 HA A:ASP82 3.7 30.7 1.0 H A:SER187 3.8 26.6 1.0 HB3 A:SER184 3.9 32.9 1.0 CD A:ARG186 3.9 25.1 1.0 HG2 A:ARG186 3.9 28.9 1.0 CB A:SER184 3.9 27.4 1.0 CB A:ARG186 4.1 25.8 1.0 HB2 A:SER184 4.1 32.9 1.0 CG A:ARG186 4.2 24.0 1.0 N A:SER187 4.2 22.1 1.0 O A:LEU81 4.2 22.7 1.0 O A:HOH453 4.3 21.2 1.0 CZ A:ARG186 4.3 25.9 1.0 CB A:SER187 4.5 20.9 0.5 NE A:ARG186 4.5 23.1 1.0 CB A:SER187 4.5 20.9 0.5 HD2 A:ARG186 4.6 30.2 1.0 HB3 A:LEU81 4.6 27.5 1.0 HB2 A:ARG186 4.6 31.1 1.0 CA A:ASP82 4.7 25.5 1.0 HA A:SER187 4.7 23.8 1.0 CA A:SER187 4.8 19.8 0.5 CA A:SER187 4.8 19.8 0.5 C A:LEU81 4.8 22.6 1.0 C A:ARG186 4.9 22.6 1.0 O A:HOH559 4.9 53.7 1.0 OD1 A:ASP82 4.9 31.8 1.0 HB2 A:SER187 4.9 25.2 0.5 CA A:ARG186 5.0 24.0 1.0

E.Van Groesen, C.T.Lohans, J.Brem, K.M.J.Aertker, T.D.W.Claridge, C.J.Schofield. 19F uc(Nmr) Monitoring of Reversible Protein Post-Translational Modifications: Class D Beta-Lactamase Carbamylation and Inhibition. Chemistry V. 25 11837 2019.
ISSN: ISSN 0947-6539
PubMed: 31310409
DOI: 10.1002/CHEM.201902529