Calcium in PDB 8tx6: Crystal Structure of An Engineered Variant of Galactose Oxidase, GOASERD7BB, From Fusarium Graminearum

The structure of Crystal Structure of An Engineered Variant of Galactose Oxidase, GOASERD7BB, From Fusarium Graminearum, PDB code: 8tx6 was solved by B.Selvaraj, P.Orth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.75 / 1.56
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.623, 88.92, 86.167, 90, 117.82, 90
R / Rfree (%)	16.4 / 18.8

The structure of Crystal Structure of An Engineered Variant of Galactose Oxidase, GOASERD7BB, From Fusarium Graminearum also contains other interesting chemical elements:

Copper

(Cu)

1 atom

The binding sites of Calcium atom in the Crystal Structure of An Engineered Variant of Galactose Oxidase, GOASERD7BB, From Fusarium Graminearum (pdb code 8tx6). 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 An Engineered Variant of Galactose Oxidase, GOASERD7BB, From Fusarium Graminearum, PDB code: 8tx6:

Calcium binding site 1 out of 1 in the Crystal Structure of An Engineered Variant of Galactose Oxidase, GOASERD7BB, From Fusarium Graminearum


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 An Engineered Variant of Galactose Oxidase, GOASERD7BB, From Fusarium Graminearum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca703 b:37.4 occ:1.00 O A:THR37 2.2 36.1 1.0 O A:ASN34 2.3 40.7 1.0 O A:LYS29 2.3 35.0 1.0 O A:ALA141 2.4 28.0 1.0 OE2 A:GLU142 2.5 42.2 1.0 OD1 A:ASP32 2.5 43.6 1.0 OG1 A:THR37 2.6 34.0 1.0 C A:THR37 3.2 40.1 1.0 C A:ASN34 3.4 40.5 1.0 CG A:ASP32 3.5 46.4 1.0 C A:ALA141 3.5 34.6 1.0 C A:LYS29 3.6 37.6 1.0 CD A:GLU142 3.6 44.7 1.0 CB A:THR37 3.7 38.7 1.0 CA A:THR37 3.8 36.0 1.0 OD2 A:ASP32 3.8 46.5 1.0 N A:ASN34 3.9 43.3 1.0 N A:THR37 4.0 36.7 1.0 CA A:ASN34 4.1 42.2 1.0 CA A:ALA141 4.2 29.4 1.0 CG A:GLU142 4.2 37.2 1.0 N A:PHE38 4.3 32.6 1.0 CB A:ASN34 4.3 47.2 1.0 CA A:LYS29 4.5 32.0 1.0 N A:LYS35 4.5 41.8 1.0 CA A:ALA30 4.5 30.9 1.0 N A:ALA30 4.5 35.5 1.0 OE1 A:GLU142 4.6 45.3 1.0 N A:GLU142 4.6 27.7 1.0 CA A:PHE38 4.6 33.4 1.0 N A:ASP32 4.6 39.8 1.0 C A:ALA30 4.7 38.9 1.0 CB A:LYS29 4.7 36.5 1.0 CA A:LYS35 4.7 41.0 1.0 CB A:ALA141 4.7 28.7 1.0 N A:GLY33 4.8 42.0 1.0 CB A:ASP32 4.8 38.0 1.0 CA A:GLU142 4.8 26.4 1.0 C A:LYS35 4.8 46.5 1.0 CG2 A:THR37 4.9 42.6 1.0 O A:ALA30 4.9 39.5 1.0

M.H.Shaw, A.Fryszkowska, O.Alvizo, I.Attadgie, M.Borra-Garske, P.N.Devine, D.Duan, S.T.Grosser, J.H.Forstater, G.J.Hughes, K.M.Maloney, E.Margelefsky, K.A.Mattern, M.T.Miller, C.C.Nawrat, J.Nazor, P.Orth, C.M.Ouimet, S.A.Robaire, S.Ruccolo, E.L.Schwalm, D.Verma, L.Xiao, B.Selvaraj, V.Zhang. Development of A Biocatalytic Aerobic Oxidation For the Manufacturing Route to Islatravir Chemrxiv 2023.
ISSN: ISSN 2573-2293
DOI: 10.26434/CHEMRXIV-2023-FG10L