Magnesium in PDB 2yg1: Apo Structure of Cellobiohydrolase 1 (CEL7A) From Heterobasidion Annosum

The structure of Apo Structure of Cellobiohydrolase 1 (CEL7A) From Heterobasidion Annosum, PDB code: 2yg1 was solved by M.Haddad-Momeni, H.Hansson, N.E.Mikkelsen, X.Wang, J.Svedberg, M.Sandgren, J.Stahlberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.10 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.511, 84.103, 75.877, 90.00, 103.36, 90.00
R / Rfree (%)	19.7 / 25.3

The binding sites of Magnesium atom in the Apo Structure of Cellobiohydrolase 1 (CEL7A) From Heterobasidion Annosum (pdb code 2yg1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Apo Structure of Cellobiohydrolase 1 (CEL7A) From Heterobasidion Annosum, PDB code: 2yg1:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Apo Structure of Cellobiohydrolase 1 (CEL7A) From Heterobasidion Annosum


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Apo Structure of Cellobiohydrolase 1 (CEL7A) From Heterobasidion Annosum within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg443 b:12.3 occ:1.00 O A:ASN163 2.2 12.4 1.0 O A:LEU157 2.3 12.1 1.0 O A:PHE160 2.3 11.7 1.0 O A:HOH2240 2.5 30.9 1.0 O A:HOH2242 2.5 19.0 1.0 C A:ASN163 3.3 12.2 1.0 O A:PRO161 3.3 13.7 1.0 C A:PHE160 3.4 11.6 1.0 C A:LEU157 3.4 11.4 1.0 C A:PRO161 3.6 13.2 1.0 CA A:PRO161 3.8 13.1 1.0 N A:ASN163 3.9 12.3 1.0 N A:PRO161 4.0 12.6 1.0 CA A:LEU157 4.0 10.7 1.0 CA A:ASN163 4.1 12.0 1.0 O A:HOH2241 4.1 21.4 1.0 N A:LYS164 4.3 12.1 1.0 CD1 A:LEU157 4.3 8.0 1.0 CB A:ASN163 4.3 11.9 1.0 N A:ASN162 4.4 13.1 1.0 O A:GLY156 4.4 10.6 1.0 CA A:PHE160 4.5 11.3 1.0 N A:PHE160 4.5 11.5 1.0 CA A:LYS164 4.5 12.4 1.0 N A:SER158 4.5 12.2 1.0 CG A:LEU157 4.5 9.6 1.0 CG A:LYS164 4.8 13.0 1.0 CA A:SER158 4.8 12.5 1.0 O A:HOH2100 4.8 20.5 1.0 C A:ASN162 4.9 12.8 1.0 CB A:LEU157 4.9 9.7 1.0

Magnesium binding site 2 out of 3 in the Apo Structure of Cellobiohydrolase 1 (CEL7A) From Heterobasidion Annosum


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Apo Structure of Cellobiohydrolase 1 (CEL7A) From Heterobasidion Annosum within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg443 b:16.6 occ:1.00 O B:LEU157 2.3 14.6 1.0 O B:ASN163 2.3 16.7 1.0 O B:PHE160 2.3 14.8 1.0 O B:HOH2167 2.5 18.5 1.0 O B:HOH2175 2.5 23.1 1.0 O B:PRO161 3.3 15.8 1.0 C B:PHE160 3.3 14.5 1.0 C B:ASN163 3.4 16.9 1.0 C B:LEU157 3.5 14.4 1.0 C B:PRO161 3.5 15.7 1.0 CA B:PRO161 3.6 15.1 1.0 N B:PRO161 3.8 14.8 1.0 N B:ASN163 4.0 16.4 1.0 CA B:ASN163 4.1 16.6 1.0 CA B:LEU157 4.2 14.2 1.0 N B:LYS164 4.4 17.2 1.0 CD1 B:LEU157 4.4 15.9 1.0 CB B:ASN163 4.4 16.3 1.0 N B:ASN162 4.4 15.8 1.0 CA B:PHE160 4.5 14.3 1.0 N B:PHE160 4.5 14.2 1.0 N B:SER158 4.5 14.7 1.0 O B:GLY156 4.6 13.8 1.0 CA B:LYS164 4.6 17.7 1.0 CD B:LYS164 4.7 21.9 1.0 CE B:LYS164 4.7 22.2 1.0 CG B:LEU157 4.7 15.1 1.0 O B:HOH2168 4.7 24.4 1.0 CA B:SER158 4.8 14.8 1.0 C B:ASN162 4.9 16.5 1.0 C B:SER158 5.0 14.8 1.0 CG B:LYS164 5.0 19.1 1.0

Magnesium binding site 3 out of 3 in the Apo Structure of Cellobiohydrolase 1 (CEL7A) From Heterobasidion Annosum


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Apo Structure of Cellobiohydrolase 1 (CEL7A) From Heterobasidion Annosum within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg444 b:22.0 occ:1.00 O B:HOH2087 2.1 14.5 1.0 O B:HOH2088 2.3 27.1 1.0 O B:THR86 2.4 25.7 1.0 O B:HOH2017 2.5 28.6 1.0 OG1 B:THR86 2.6 25.7 1.0 C B:THR86 3.3 25.7 1.0 CB B:THR86 3.7 25.5 1.0 N B:THR86 3.7 25.4 1.0 CA B:THR86 3.7 25.4 1.0 O B:HOH2035 4.2 33.2 1.0 O B:LYS13 4.4 26.6 1.0 O B:HOH2004 4.4 30.9 1.0 N B:SER87 4.5 25.8 1.0 O B:HOH2090 4.5 26.1 1.0 O B:HOH2086 4.6 32.1 1.0 O B:HOH2083 4.7 22.6 1.0 CG2 B:THR86 4.8 25.6 1.0 N B:LYS13 4.8 25.6 1.0 CB B:PRO12 4.9 24.1 1.0 C B:SER85 4.9 25.0 1.0 CA B:SER87 4.9 26.2 1.0

M.H.Momeni, C.M.Payne, H.Hansson, N.E.Mikkelsen, J.Svedberg, A.Engstrom, M.Sandgren, G.T.Beckham, J.Stahlberg. Structural, Biochemical, and Computational Characterization of the Glycoside Hydrolase Family 7 Cellobiohydrolase of the Tree-Killing Fungus Heterobasidion Irregulare. J.Biol.Chem. V. 288 5861 2013.
ISSN: ISSN 0021-9258
PubMed: 23303184
DOI: 10.1074/JBC.M112.440891