Magnesium in PDB 6tte: Beta-Galactosidase in Complex with Petg

All present enzymatic activity of Beta-Galactosidase in Complex with Petg:
3.2.1.23;

The binding sites of Magnesium atom in the Beta-Galactosidase in Complex with Petg (pdb code 6tte). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Beta-Galactosidase in Complex with Petg, PDB code: 6tte:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Beta-Galactosidase in Complex with Petg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Beta-Galactosidase in Complex with Petg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg3001 b:8.2 occ:1.00 OE1 A:GLU461 2.1 19.0 1.0 O A:HOH3162 2.2 5.5 1.0 O A:HOH3144 2.2 1.4 1.0 O A:HOH3113 2.2 4.1 1.0 OE2 A:GLU416 2.2 20.1 1.0 ND1 A:HIS418 2.4 8.6 1.0 CE1 A:HIS418 3.3 8.9 1.0 CD A:GLU461 3.3 28.0 1.0 CD A:GLU416 3.3 16.9 1.0 CG A:HIS418 3.5 9.9 1.0 OE1 A:GLU416 3.7 17.9 1.0 CB A:HIS418 3.8 8.7 1.0 OE2 A:GLU461 3.9 29.3 1.0 OD1 A:ASN102 4.0 14.5 1.0 O A:ASP199 4.2 8.5 1.0 O A:HOH3319 4.3 15.0 1.0 CB A:ASP201 4.3 16.7 1.0 CG A:GLU461 4.3 17.2 1.0 N A:ASP201 4.3 11.6 1.0 NE2 A:HIS418 4.5 10.5 1.0 ND2 A:ASN460 4.5 14.2 1.0 CB A:GLU461 4.5 13.2 1.0 CG A:GLU416 4.5 9.0 1.0 CD2 A:HIS418 4.6 10.4 1.0 O A:ASN102 4.6 13.2 1.0 O4 A:PTQ3002 4.6 13.6 1.0 O3 A:PTQ3002 4.9 22.9 1.0 CA A:ASP201 4.9 11.2 1.0 C2 A:PTQ3002 4.9 17.2 1.0 C A:GLN200 5.0 11.9 1.0

Magnesium binding site 2 out of 4 in the Beta-Galactosidase in Complex with Petg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Beta-Galactosidase in Complex with Petg within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg3001 b:8.2 occ:1.00 OE1 B:GLU461 2.1 19.0 1.0 O B:HOH3162 2.2 5.5 1.0 O B:HOH3144 2.2 1.4 1.0 O B:HOH3113 2.2 4.1 1.0 OE2 B:GLU416 2.2 20.1 1.0 ND1 B:HIS418 2.4 8.6 1.0 CE1 B:HIS418 3.3 8.9 1.0 CD B:GLU461 3.3 28.0 1.0 CD B:GLU416 3.3 16.9 1.0 CG B:HIS418 3.5 9.9 1.0 OE1 B:GLU416 3.7 17.9 1.0 CB B:HIS418 3.8 8.7 1.0 OE2 B:GLU461 3.9 29.3 1.0 OD1 B:ASN102 4.0 14.5 1.0 O B:ASP199 4.2 8.5 1.0 O B:HOH3319 4.3 15.0 1.0 CB B:ASP201 4.3 16.7 1.0 CG B:GLU461 4.3 17.2 1.0 N B:ASP201 4.3 11.6 1.0 NE2 B:HIS418 4.5 10.5 1.0 ND2 B:ASN460 4.5 14.2 1.0 CB B:GLU461 4.5 13.2 1.0 CG B:GLU416 4.5 9.0 1.0 CD2 B:HIS418 4.6 10.4 1.0 O B:ASN102 4.6 13.2 1.0 O4 B:PTQ3002 4.6 13.6 1.0 O3 B:PTQ3002 4.9 22.9 1.0 CA B:ASP201 4.9 11.2 1.0 C2 B:PTQ3002 4.9 17.2 1.0 C B:GLN200 5.0 11.9 1.0

Magnesium binding site 3 out of 4 in the Beta-Galactosidase in Complex with Petg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Beta-Galactosidase in Complex with Petg within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg3001 b:8.2 occ:1.00 OE1 C:GLU461 2.1 19.0 1.0 O C:HOH3162 2.2 5.5 1.0 O C:HOH3144 2.2 1.4 1.0 O C:HOH3113 2.2 4.1 1.0 OE2 C:GLU416 2.2 20.1 1.0 ND1 C:HIS418 2.4 8.6 1.0 CE1 C:HIS418 3.3 8.9 1.0 CD C:GLU461 3.3 28.0 1.0 CD C:GLU416 3.3 16.9 1.0 CG C:HIS418 3.5 9.9 1.0 OE1 C:GLU416 3.7 17.9 1.0 CB C:HIS418 3.8 8.7 1.0 OE2 C:GLU461 3.9 29.3 1.0 OD1 C:ASN102 4.0 14.5 1.0 O C:ASP199 4.2 8.5 1.0 O C:HOH3319 4.3 15.0 1.0 CB C:ASP201 4.3 16.7 1.0 CG C:GLU461 4.3 17.2 1.0 N C:ASP201 4.3 11.6 1.0 NE2 C:HIS418 4.5 10.5 1.0 ND2 C:ASN460 4.5 14.2 1.0 CB C:GLU461 4.5 13.2 1.0 CG C:GLU416 4.5 9.0 1.0 CD2 C:HIS418 4.6 10.4 1.0 O C:ASN102 4.6 13.2 1.0 O4 C:PTQ3002 4.6 13.6 1.0 O3 C:PTQ3002 4.9 22.9 1.0 CA C:ASP201 4.9 11.2 1.0 C2 C:PTQ3002 4.9 17.2 1.0 C C:GLN200 5.0 11.9 1.0

Magnesium binding site 4 out of 4 in the Beta-Galactosidase in Complex with Petg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Beta-Galactosidase in Complex with Petg within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg3001 b:8.2 occ:1.00 OE1 D:GLU461 2.1 19.0 1.0 O D:HOH3162 2.2 5.5 1.0 O D:HOH3144 2.2 1.4 1.0 O D:HOH3113 2.2 4.1 1.0 OE2 D:GLU416 2.2 20.1 1.0 ND1 D:HIS418 2.4 8.6 1.0 CE1 D:HIS418 3.3 8.9 1.0 CD D:GLU461 3.3 28.0 1.0 CD D:GLU416 3.3 16.9 1.0 CG D:HIS418 3.5 9.9 1.0 OE1 D:GLU416 3.7 17.9 1.0 CB D:HIS418 3.8 8.7 1.0 OE2 D:GLU461 3.9 29.3 1.0 OD1 D:ASN102 4.0 14.5 1.0 O D:ASP199 4.2 8.5 1.0 O D:HOH3319 4.3 15.0 1.0 CB D:ASP201 4.3 16.7 1.0 CG D:GLU461 4.3 17.2 1.0 N D:ASP201 4.3 11.6 1.0 NE2 D:HIS418 4.5 10.5 1.0 ND2 D:ASN460 4.5 14.2 1.0 CB D:GLU461 4.5 13.2 1.0 CG D:GLU416 4.5 9.0 1.0 CD2 D:HIS418 4.6 10.4 1.0 O D:ASN102 4.6 13.2 1.0 O4 D:PTQ3002 4.6 13.6 1.0 O3 D:PTQ3002 4.9 22.9 1.0 CA D:ASP201 4.9 11.2 1.0 C2 D:PTQ3002 4.9 17.2 1.0 C D:GLN200 5.0 11.9 1.0

M.Saur, M.J.Hartshorn, J.Dong, J.Reeks, G.Bunkoczi, H.Jhoti, P.A.Williams. Fragment-Based Drug Discovery Using Cryo-Em. Drug Discov Today 2019.
ISSN: ESSN 1878-5832
PubMed: 31877353
DOI: 10.1016/J.DRUDIS.2019.12.006