Magnesium in PDB 8jh8: Structure-Based Characterization and Improvement of An Enzymatic Activity of Acremonium Alcalophilum Feruloyl Esterase

All present enzymatic activity of Structure-Based Characterization and Improvement of An Enzymatic Activity of Acremonium Alcalophilum Feruloyl Esterase:
3.1.1.73;

The structure of Structure-Based Characterization and Improvement of An Enzymatic Activity of Acremonium Alcalophilum Feruloyl Esterase, PDB code: 8jh8 was solved by A.Phienluphon, K.Kondo, B.Mikami, T.Nagata, M.Katahira, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.78 / 1.55
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	99.516, 37.738, 77.709, 90, 125.93, 90
R / Rfree (%)	14.9 / 22.4

The binding sites of Magnesium atom in the Structure-Based Characterization and Improvement of An Enzymatic Activity of Acremonium Alcalophilum Feruloyl Esterase (pdb code 8jh8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure-Based Characterization and Improvement of An Enzymatic Activity of Acremonium Alcalophilum Feruloyl Esterase, PDB code: 8jh8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure-Based Characterization and Improvement of An Enzymatic Activity of Acremonium Alcalophilum Feruloyl Esterase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure-Based Characterization and Improvement of An Enzymatic Activity of Acremonium Alcalophilum Feruloyl Esterase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:27.0 occ:1.00 OG A:SER119 2.9 28.1 1.0 O A:HOH539 2.9 55.1 1.0 N A:LEU50 3.0 34.2 1.0 CB A:LEU50 3.3 36.8 1.0 CB A:SER119 3.3 23.3 1.0 N A:PHE120 3.3 22.2 1.0 CB A:PHE120 3.6 25.6 1.0 CA A:LEU50 3.7 35.7 1.0 CB A:TRP49 3.8 29.6 1.0 C3 A:PEG301 3.9 61.4 1.0 C2 A:PEG301 3.9 55.8 1.0 C A:TRP49 4.0 33.2 1.0 CA A:PHE120 4.0 24.6 1.0 CA A:TRP49 4.1 30.3 1.0 C A:SER119 4.3 21.7 1.0 CA A:SER119 4.4 20.1 1.0 O2 A:PEG301 4.4 59.2 1.0 CG A:PHE120 4.5 25.7 1.0 CG A:LEU50 4.6 37.6 1.0 O A:LEU50 4.6 46.3 1.0 CD2 A:PHE120 4.7 25.1 1.0 C A:LEU50 4.7 41.1 1.0 CD2 A:LEU50 4.8 38.2 1.0 NE2 A:HIS224 4.8 30.5 1.0 CG A:TRP49 4.9 27.3 1.0 O A:HOH576 4.9 56.1 1.0 C1 A:PEG301 4.9 53.1 1.0 O A:PHE118 5.0 22.6 1.0

Magnesium binding site 2 out of 2 in the Structure-Based Characterization and Improvement of An Enzymatic Activity of Acremonium Alcalophilum Feruloyl Esterase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure-Based Characterization and Improvement of An Enzymatic Activity of Acremonium Alcalophilum Feruloyl Esterase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:21.1 occ:0.50 O A:HOH535 2.9 56.1 1.0 N A:ASN70 3.2 19.8 1.0 OD1 A:ASN71 3.5 29.6 1.0 CA A:GLY69 3.9 21.6 1.0 CG A:ASN71 4.0 25.8 1.0 C A:GLY69 4.0 18.1 1.0 CA A:ASN70 4.0 20.4 1.0 CB A:ASN70 4.1 24.6 1.0 ND2 A:ASN71 4.2 28.6 1.0 N A:ASN71 4.3 17.6 1.0 C A:ASN70 4.4 16.7 1.0 ND2 A:ASN70 4.5 32.4 1.0 O A:ALA68 4.6 19.7 1.0 CG A:ASN70 4.7 27.2 1.0 N A:GLY69 4.9 20.6 1.0

A.Phienluphon, K.Kondo, B.Mikami, K.S.K.Teo, K.Saito, T.Watanabe, T.Nagata, M.Katahira. Structure-Based Characterization and Improvement of An Enzymatic Activity of Acremonium Alcalophilum Feruloyl Esterase Acs Sustain Chem Eng V. 12 3831 2024.
ISSN: ESSN 2168-0485
DOI: 10.1021/ACSSUSCHEMENG.3C08222