Magnesium in PDB 7apn: Structure of Lipase Tl From Bulk Agarose Grown Crystal

All present enzymatic activity of Structure of Lipase Tl From Bulk Agarose Grown Crystal:
3.1.1.3;

The structure of Structure of Lipase Tl From Bulk Agarose Grown Crystal, PDB code: 7apn was solved by J.A.Gavira, S.Martinez-Rodriguez, R.Fernande-Penas, C.Verdugo-Escamilla, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	122.27 / 2.00
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	141.187, 141.187, 80.234, 90, 90, 120
R / Rfree (%)	21.3 / 25

The binding sites of Magnesium atom in the Structure of Lipase Tl From Bulk Agarose Grown Crystal (pdb code 7apn). 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 of Lipase Tl From Bulk Agarose Grown Crystal, PDB code: 7apn:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Lipase Tl From Bulk Agarose Grown Crystal


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Lipase Tl From Bulk Agarose Grown Crystal within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg306 b:41.0 occ:1.00 O A:HOH442 2.8 34.7 1.0 ND1 A:HIS215 2.8 23.9 1.0 O A:HOH512 3.1 28.4 1.0 N A:SER216 3.2 27.7 1.0 OG A:SER216 3.2 32.4 1.0 CD A:ARG195 3.5 24.3 1.0 CA A:HIS215 3.6 26.3 1.0 CE1 A:HIS215 3.7 26.3 1.0 NE A:ARG195 3.8 23.3 1.0 CB A:SER216 3.8 30.4 1.0 CG A:HIS215 3.9 24.7 1.0 C A:HIS215 3.9 26.9 1.0 CA A:SER216 4.1 28.8 1.0 CB A:HIS215 4.1 26.2 1.0 O A:SER214 4.2 25.4 0.5 O A:SER214 4.2 24.5 0.5 CG2 A:VAL176 4.4 31.7 1.0 CZ A:ARG195 4.6 23.4 1.0 O A:SER216 4.6 26.7 1.0 O A:HOH468 4.6 22.9 1.0 CA A:ARG175 4.7 23.5 1.0 N A:VAL176 4.7 24.7 1.0 N A:HIS215 4.7 26.3 1.0 CD1 A:LEU185 4.8 38.0 1.0 C A:SER216 4.9 29.4 1.0 O A:PRO174 4.9 25.1 1.0 NE2 A:HIS215 4.9 22.0 1.0 C A:SER214 4.9 26.5 0.5 CG A:ARG195 4.9 23.5 1.0 C A:SER214 4.9 25.5 0.5 CD2 A:HIS215 5.0 23.5 1.0 NH1 A:ARG195 5.0 22.2 1.0

Magnesium binding site 2 out of 2 in the Structure of Lipase Tl From Bulk Agarose Grown Crystal


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Lipase Tl From Bulk Agarose Grown Crystal within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg303 b:37.0 occ:1.00 O B:HOH549 2.2 40.8 1.0 O B:HOH440 2.2 44.7 1.0 O B:GLU45 2.4 34.3 1.0 O B:HOH482 2.4 28.6 1.0 O B:ALA47 2.4 34.0 1.0 O B:HOH537 2.6 39.0 1.0 C B:GLU45 3.4 36.8 1.0 C B:ALA47 3.7 36.9 1.0 O6 B:NAG301 3.9 74.7 1.0 CA B:GLU45 3.9 35.6 1.0 N B:ALA49 4.1 31.5 1.0 O B:VAL44 4.2 28.8 1.0 O B:ILE34 4.3 30.2 1.0 O5 B:NAG301 4.4 60.6 1.0 N B:ALA47 4.4 35.6 1.0 O B:ALA49 4.4 29.7 1.0 N B:ASP48 4.5 36.4 1.0 C B:LYS46 4.5 36.3 0.5 CA B:ASP48 4.5 38.1 1.0 O B:HOH524 4.5 46.5 1.0 N B:LYS46 4.5 38.8 0.6 N B:LYS46 4.5 36.8 0.5 C B:LYS46 4.5 38.2 0.6 ND2 B:ASN33 4.7 49.7 1.0 CA B:ALA47 4.7 35.6 1.0 O B:LYS46 4.7 38.6 0.5 CB B:ASN33 4.8 37.4 1.0 C B:ASP48 4.8 33.7 1.0 O B:LYS46 4.9 41.5 0.6 CG B:ASN33 4.9 44.1 1.0 CB B:GLU45 4.9 35.8 1.0 N B:GLU45 5.0 30.4 1.0 CA B:LYS46 5.0 36.1 0.5 CA B:LYS46 5.0 39.1 0.6

R.Fernandez-Penas, C.Verdugo-Escamilla, S.Martinez-Rodriguez, J.A.Gavira. Production of Cross-Linked Lipase Crystals at A Preparative Scale Cryst.Growth Des. 2021.
ISSN: ESSN 1528-7505
DOI: 10.1021/ACS.CGD.0C01608