Magnesium in PDB 3eja: Magnesium-Bound Glycoside Hydrolase 61 Isoform E From Thielavia Terrestris

The structure of Magnesium-Bound Glycoside Hydrolase 61 Isoform E From Thielavia Terrestris, PDB code: 3eja was solved by R.Salbo, D.Welner, L.Lo Leggio, P.Harris, K.Mcfarland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.90
Space group	F 2 3 1
Cell size a, b, c (Å), α, β, γ (°)	221.461, 221.461, 221.461, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 20.4

The binding sites of Magnesium atom in the Magnesium-Bound Glycoside Hydrolase 61 Isoform E From Thielavia Terrestris (pdb code 3eja). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Magnesium-Bound Glycoside Hydrolase 61 Isoform E From Thielavia Terrestris, PDB code: 3eja:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Magnesium-Bound Glycoside Hydrolase 61 Isoform E From Thielavia Terrestris


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Magnesium-Bound Glycoside Hydrolase 61 Isoform E From Thielavia Terrestris within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:10.8 occ:1.00 N A:HIS1 2.1 18.7 1.0 NE2 A:HIS68 2.1 13.8 1.0 O A:HOH5839 2.2 28.8 1.0 ND1 A:HIS1 2.2 23.6 1.0 OH A:TYR153 2.8 11.7 1.0 CD2 A:HIS68 3.1 12.5 1.0 CA A:HIS1 3.1 18.2 1.0 CG A:HIS1 3.1 21.0 1.0 CE1 A:HIS68 3.1 13.6 1.0 CE1 A:HIS1 3.2 23.1 1.0 CB A:HIS1 3.3 18.9 1.0 OH A:TYR67 3.6 18.6 1.0 CZ A:TYR153 3.8 10.8 1.0 OE1 A:GLN151 4.0 12.5 1.0 O3 A:SO44851 4.1 30.4 0.5 CZ A:TYR67 4.2 18.3 1.0 ND1 A:HIS68 4.2 13.3 1.0 CG A:HIS68 4.2 13.5 1.0 CD2 A:HIS1 4.3 22.3 1.0 NE2 A:HIS1 4.3 23.4 1.0 CE1 A:TYR153 4.4 11.0 1.0 CE1 A:TYR67 4.4 18.3 1.0 C A:HIS1 4.4 17.3 1.0 O A:HOH5840 4.7 45.7 1.0 CE2 A:TYR153 4.7 10.9 1.0

Magnesium binding site 2 out of 4 in the Magnesium-Bound Glycoside Hydrolase 61 Isoform E From Thielavia Terrestris


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Magnesium-Bound Glycoside Hydrolase 61 Isoform E From Thielavia Terrestris within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg702 b:19.3 occ:1.00 ND1 B:HIS1 2.2 24.7 1.0 N B:HIS1 2.3 18.9 1.0 NE2 B:HIS68 2.4 14.1 1.0 OH B:TYR153 2.7 11.8 1.0 CG B:HIS1 3.1 22.0 1.0 CA B:HIS1 3.1 18.4 1.0 CE1 B:HIS1 3.2 25.4 1.0 CB B:HIS1 3.3 19.5 1.0 CD2 B:HIS68 3.3 12.5 1.0 CE1 B:HIS68 3.4 13.7 1.0 CZ B:TYR153 3.8 11.1 1.0 OH B:TYR67 3.9 18.9 1.0 OE1 B:GLN151 4.0 12.5 1.0 O3 D:SO44852 4.1 68.1 1.0 CD2 B:HIS1 4.3 23.5 1.0 NE2 B:HIS1 4.3 25.1 1.0 CE1 B:TYR153 4.3 10.9 1.0 ND1 B:HIS68 4.5 13.7 1.0 CG B:HIS68 4.5 13.5 1.0 C B:HIS1 4.5 17.6 1.0 CZ B:TYR67 4.6 18.3 1.0 CE2 B:TYR153 4.8 11.0 1.0 CE1 B:TYR67 4.8 18.4 1.0 O D:HOH5572 4.8 25.0 1.0 S D:SO44852 5.0 68.0 1.0

Magnesium binding site 3 out of 4 in the Magnesium-Bound Glycoside Hydrolase 61 Isoform E From Thielavia Terrestris


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Magnesium-Bound Glycoside Hydrolase 61 Isoform E From Thielavia Terrestris within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg703 b:14.4 occ:1.00 NE2 C:HIS68 2.0 13.7 1.0 ND1 C:HIS1 2.2 23.8 1.0 N C:HIS1 2.3 18.8 1.0 OH C:TYR153 2.7 11.6 1.0 CD2 C:HIS68 3.0 12.6 1.0 O1 A:GOL2647 3.0 41.5 1.0 CE1 C:HIS68 3.0 13.7 1.0 CE1 C:HIS1 3.1 25.6 1.0 CG C:HIS1 3.2 21.8 1.0 CA C:HIS1 3.2 18.2 1.0 CB C:HIS1 3.5 19.1 1.0 C1 A:GOL2647 3.5 42.2 1.0 OH C:TYR67 3.7 18.6 1.0 CZ C:TYR153 3.8 11.0 1.0 OE1 C:GLN151 3.9 12.3 1.0 ND1 C:HIS68 4.1 13.4 1.0 CG C:HIS68 4.1 13.4 1.0 NE2 C:HIS1 4.3 25.0 1.0 CZ C:TYR67 4.3 18.3 1.0 CD2 C:HIS1 4.3 23.5 1.0 CE1 C:TYR153 4.4 10.8 1.0 CE1 C:TYR67 4.5 18.3 1.0 O C:HOH5664 4.5 23.9 1.0 C C:HIS1 4.6 17.4 1.0 C2 A:GOL2647 4.7 42.1 1.0 CE2 C:TYR153 4.7 10.8 1.0

Magnesium binding site 4 out of 4 in the Magnesium-Bound Glycoside Hydrolase 61 Isoform E From Thielavia Terrestris


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Magnesium-Bound Glycoside Hydrolase 61 Isoform E From Thielavia Terrestris within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg704 b:13.2 occ:1.00 ND1 D:HIS1 2.2 22.8 1.0 N D:HIS1 2.3 18.8 1.0 NE2 D:HIS68 2.3 14.0 1.0 OH D:TYR153 2.7 11.7 1.0 O1 D:GOL2647 2.7 40.0 1.0 CG D:HIS1 3.1 21.1 1.0 CA D:HIS1 3.1 18.2 1.0 CE1 D:HIS1 3.2 22.3 1.0 C1 D:GOL2647 3.2 40.6 1.0 CD2 D:HIS68 3.3 12.5 1.0 CB D:HIS1 3.3 19.1 1.0 CE1 D:HIS68 3.3 13.6 1.0 CZ D:TYR153 3.7 11.0 1.0 OH D:TYR67 3.9 18.9 1.0 OE1 D:GLN151 3.9 12.3 1.0 CD2 D:HIS1 4.3 22.5 1.0 C2 D:GOL2647 4.3 39.2 1.0 NE2 D:HIS1 4.3 23.6 1.0 CE1 D:TYR153 4.3 11.0 1.0 ND1 D:HIS68 4.4 13.6 1.0 CG D:HIS68 4.4 13.4 1.0 C D:HIS1 4.5 17.4 1.0 CZ D:TYR67 4.5 18.3 1.0 CE2 D:TYR153 4.7 10.9 1.0 O D:HOH5453 4.7 23.9 1.0 CE1 D:TYR67 4.8 18.3 1.0

P.V.Harris, D.Welner, K.C.Mcfarland, E.Re, J.C.Navarro Poulsen, K.Brown, R.Salbo, H.Ding, E.Vlasenko, S.Merino, F.Xu, J.Cherry, S.Larsen, L.Lo Leggio. Stimulation of Lignocellulosic Biomass Hydrolysis By Proteins of Glycoside Hydrolase Family 61: Structure and Function of A Large, Enigmatic Family. Biochemistry V. 49 3305 2010.
ISSN: ISSN 0006-2960
PubMed: 20230050
DOI: 10.1021/BI100009P