Calcium in PDB 6grr: Crystal Structure of Escherichia Coli Amine Oxidase Mutant I342F/E573Q

The structure of Crystal Structure of Escherichia Coli Amine Oxidase Mutant I342F/E573Q, PDB code: 6grr was solved by T.G.Gaule, M.A.Smith, K.M.Tych, P.Pirrat, C.H.Trinh, A.R.Pearson, P.F.Knowles, M.J.Mcpherson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	105.05 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	135.152, 166.836, 79.734, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 19.3

The structure of Crystal Structure of Escherichia Coli Amine Oxidase Mutant I342F/E573Q also contains other interesting chemical elements:

Copper

(Cu)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of Escherichia Coli Amine Oxidase Mutant I342F/E573Q (pdb code 6grr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Escherichia Coli Amine Oxidase Mutant I342F/E573Q, PDB code: 6grr:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Escherichia Coli Amine Oxidase Mutant I342F/E573Q


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 Escherichia Coli Amine Oxidase Mutant I342F/E573Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca802 b:23.4 occ:1.00 OD1 A:ASP535 2.2 23.9 1.0 OD1 A:ASP678 2.3 23.0 1.0 O A:ALA679 2.3 22.1 1.0 OD1 A:ASP533 2.3 22.4 1.0 O A:LEU534 2.3 21.6 1.0 O A:HOH994 2.4 22.2 1.0 C A:LEU534 3.3 22.6 1.0 C A:ALA679 3.4 21.6 1.0 CG A:ASP535 3.5 23.2 1.0 CG A:ASP533 3.5 22.3 1.0 CG A:ASP678 3.5 26.0 1.0 N A:ALA679 3.6 23.4 1.0 NZ A:LYS133 3.8 24.8 1.0 N A:ASP535 4.0 21.7 1.0 CA A:ASP535 4.0 23.3 1.0 C A:ASP533 4.0 21.5 1.0 CA A:ALA679 4.1 22.8 1.0 N A:LEU534 4.2 22.4 1.0 C A:ASP678 4.2 23.5 1.0 OD2 A:ASP678 4.2 23.9 1.0 OD2 A:ASP533 4.3 21.9 1.0 O A:ASP533 4.3 22.6 1.0 CB A:ASP535 4.3 23.6 1.0 OD2 A:ASP535 4.4 26.6 1.0 CA A:ASP678 4.4 25.1 1.0 CA A:LEU534 4.4 22.1 1.0 CA A:ASP533 4.4 21.5 1.0 O A:GLU539 4.5 27.3 1.0 N A:VAL680 4.5 22.6 1.0 CB A:ASP678 4.6 24.4 1.0 CB A:ASP533 4.6 21.7 1.0 OD1 A:ASN541 4.8 24.2 1.0 CB A:ALA679 4.9 25.2 1.0 CA A:VAL680 4.9 23.6 1.0 CG2 A:VAL680 4.9 23.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Escherichia Coli Amine Oxidase Mutant I342F/E573Q


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Escherichia Coli Amine Oxidase Mutant I342F/E573Q within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca802 b:28.3 occ:1.00 OD1 B:ASP533 2.2 26.8 1.0 O B:ALA679 2.3 28.8 1.0 OD1 B:ASP535 2.3 28.2 1.0 OD1 B:ASP678 2.3 28.4 1.0 O B:LEU534 2.4 26.3 1.0 O B:HOH1045 2.4 30.1 1.0 C B:LEU534 3.4 27.1 1.0 C B:ALA679 3.4 28.7 1.0 CG B:ASP533 3.5 25.0 1.0 N B:ALA679 3.5 30.5 1.0 CG B:ASP535 3.5 28.2 1.0 CG B:ASP678 3.6 31.8 1.0 NZ B:LYS133 3.8 29.7 1.0 CA B:ALA679 4.0 29.2 1.0 C B:ASP533 4.0 25.3 1.0 N B:ASP535 4.1 26.1 1.0 CA B:ASP535 4.1 26.8 1.0 C B:ASP678 4.2 32.4 1.0 N B:LEU534 4.2 26.6 1.0 OD2 B:ASP533 4.2 28.3 1.0 OD2 B:ASP678 4.2 29.6 1.0 O B:ASP533 4.3 26.6 1.0 OD2 B:ASP535 4.4 28.8 1.0 CA B:ASP533 4.4 25.1 1.0 CB B:ASP535 4.4 27.7 1.0 CA B:ASP678 4.4 32.4 1.0 CA B:LEU534 4.5 27.4 1.0 N B:VAL680 4.5 27.3 1.0 CB B:ASP533 4.5 24.4 1.0 O B:GLU539 4.5 32.6 1.0 CB B:ASP678 4.6 32.4 1.0 OD1 B:ASN541 4.8 28.9 1.0 CB B:ALA679 4.8 30.0 1.0 CA B:VAL680 4.9 28.7 1.0 CG2 B:VAL680 4.9 29.1 1.0 O B:ASP678 5.0 30.9 1.0

T.G.Gaule, M.A.Smith, K.M.Tych, P.Pirrat, C.H.Trinh, A.R.Pearson, P.F.Knowles, M.J.Mcpherson. Oxygen Activation Switch in the Copper Amine Oxidase of Escherichia Coli. Biochemistry V. 57 5301 2018.
ISSN: ISSN 1520-4995
PubMed: 30110143
DOI: 10.1021/ACS.BIOCHEM.8B00633