Calcium in PDB 8bhh: The Crystal Structure of A Feruloyl Esterase C From Fusarium Oxysporum in Complex with P-Coumaric Acid

The structure of The Crystal Structure of A Feruloyl Esterase C From Fusarium Oxysporum in Complex with P-Coumaric Acid, PDB code: 8bhh was solved by M.Dimarogona, E.Topakas, C.Kosinas, C.Ferousi, E.Nikolaivits, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	113.51 / 1.69
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.704, 89.637, 116.978, 90, 103.99, 90
R / Rfree (%)	17.1 / 21.7

The binding sites of Calcium atom in the The Crystal Structure of A Feruloyl Esterase C From Fusarium Oxysporum in Complex with P-Coumaric Acid (pdb code 8bhh). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Crystal Structure of A Feruloyl Esterase C From Fusarium Oxysporum in Complex with P-Coumaric Acid, PDB code: 8bhh:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Crystal Structure of A Feruloyl Esterase C From Fusarium Oxysporum in Complex with P-Coumaric Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of A Feruloyl Esterase C From Fusarium Oxysporum in Complex with P-Coumaric Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca607 b:26.7 occ:1.00 OD1 A:ASP270 2.3 28.2 1.0 O A:ILE280 2.3 26.4 1.0 OD1 A:ASP278 2.3 23.9 1.0 O A:VAL276 2.4 31.4 1.0 O A:HOH824 2.4 24.1 1.0 OD1 A:ASP274 2.4 29.4 1.0 OD2 A:ASP274 2.5 26.4 1.0 CG A:ASP274 2.8 25.6 1.0 CG A:ASP278 3.4 29.9 1.0 CG A:ASP270 3.4 29.7 1.0 C A:ILE280 3.5 25.3 1.0 C A:VAL276 3.6 32.0 1.0 OD2 A:ASP278 3.8 32.0 1.0 OD2 A:ASP270 4.0 27.2 1.0 N A:ILE280 4.1 27.0 1.0 CA A:ILE280 4.2 26.2 1.0 N A:ASP278 4.2 27.4 1.0 CB A:VAL276 4.2 29.8 1.0 CB A:ASP274 4.3 27.9 1.0 CA A:VAL276 4.3 27.7 1.0 O A:ASP270 4.5 25.8 1.0 CB A:ILE280 4.5 27.4 1.0 N A:VAL276 4.5 29.6 1.0 C A:ASP270 4.5 22.9 1.0 N A:LEU281 4.5 23.0 1.0 N A:GLU282 4.6 23.6 1.0 O A:HOH750 4.6 23.9 1.0 CB A:ASP270 4.6 25.6 1.0 CA A:ASP270 4.6 25.2 1.0 N A:ALA277 4.6 28.9 1.0 CA A:LEU281 4.7 25.4 1.0 CB A:ASP278 4.7 30.4 1.0 CG1 A:VAL276 4.7 30.2 1.0 N A:GLY279 4.8 26.4 1.0 OE1 A:GLU282 4.9 28.6 1.0 CA A:ASP278 4.9 27.6 1.0 CA A:ALA277 4.9 29.2 1.0 N A:GLU271 4.9 27.4 1.0

Calcium binding site 2 out of 2 in the The Crystal Structure of A Feruloyl Esterase C From Fusarium Oxysporum in Complex with P-Coumaric Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Crystal Structure of A Feruloyl Esterase C From Fusarium Oxysporum in Complex with P-Coumaric Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca614 b:26.4 occ:1.00 OD1 B:ASP270 2.2 28.7 1.0 O B:ILE280 2.3 27.5 1.0 OD1 B:ASP278 2.3 27.0 1.0 OD1 B:ASP274 2.4 27.2 1.0 O B:VAL276 2.4 26.6 1.0 O B:HOH826 2.4 25.1 1.0 OD2 B:ASP274 2.5 24.8 1.0 CG B:ASP274 2.7 25.9 1.0 CG B:ASP278 3.4 25.7 1.0 CG B:ASP270 3.4 27.9 1.0 C B:ILE280 3.6 23.2 1.0 C B:VAL276 3.6 32.8 1.0 OD2 B:ASP278 3.8 27.8 1.0 CB B:VAL276 4.0 30.9 1.0 OD2 B:ASP270 4.0 26.8 1.0 CA B:VAL276 4.1 30.8 1.0 N B:ILE280 4.2 27.0 1.0 CB B:ASP274 4.2 27.9 1.0 N B:ASP278 4.2 29.2 1.0 N B:VAL276 4.3 35.4 1.0 CA B:ILE280 4.3 25.6 1.0 C B:ASP270 4.5 30.3 1.0 O B:ASP270 4.5 26.0 1.0 CG1 B:VAL276 4.5 34.7 1.0 CB B:ILE280 4.5 28.2 1.0 N B:LEU281 4.6 25.6 1.0 CB B:ASP270 4.6 29.3 1.0 O B:HOH768 4.6 27.2 1.0 CA B:ASP270 4.6 26.8 1.0 N B:GLU282 4.6 24.8 1.0 CB B:ASP278 4.7 29.6 1.0 N B:ALA277 4.7 31.2 1.0 CA B:LEU281 4.7 22.3 1.0 OE1 B:GLU282 4.9 24.6 1.0 N B:GLY279 4.9 24.0 1.0 CA B:ASP278 4.9 27.4 1.0 N B:GLU271 4.9 28.2 1.0

C.Kosinas, A.Zerva, E.Topakas, M.Dimarogona. Structure-Function Studies of A Novel Laccase-Like Multicopper Oxidase From Thermothelomyces Thermophila Provide Insights Into Its Biological Role. Acta Crystallogr D Struct 2023BIOL.
ISSN: ISSN 2059-7983
PubMed: 37326583
DOI: 10.1107/S2059798323004175