Calcium in PDB 1g72: Catalytic Mechanism of Quinoprotein Methanol Dehydrogenase: A Theoretical and X-Ray Crystallographic Investigation

All present enzymatic activity of Catalytic Mechanism of Quinoprotein Methanol Dehydrogenase: A Theoretical and X-Ray Crystallographic Investigation:
1.1.99.8;

The structure of Catalytic Mechanism of Quinoprotein Methanol Dehydrogenase: A Theoretical and X-Ray Crystallographic Investigation, PDB code: 1g72 was solved by Y.Zheng, Z.Xia, Z.Chen, T.C.Bruice, F.S.Mathews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	98.115, 69.744, 109.838, 90.00, 110.29, 90.00
R / Rfree (%)	16.1 / 19

The binding sites of Calcium atom in the Catalytic Mechanism of Quinoprotein Methanol Dehydrogenase: A Theoretical and X-Ray Crystallographic Investigation (pdb code 1g72). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Catalytic Mechanism of Quinoprotein Methanol Dehydrogenase: A Theoretical and X-Ray Crystallographic Investigation, PDB code: 1g72:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Catalytic Mechanism of Quinoprotein Methanol Dehydrogenase: A Theoretical and X-Ray Crystallographic Investigation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Catalytic Mechanism of Quinoprotein Methanol Dehydrogenase: A Theoretical and X-Ray Crystallographic Investigation within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca702 b:47.9 occ:1.00 OE2 A:GLU171 2.5 22.6 1.0 O5 A:PQQ701 2.5 19.0 1.0 N6 A:PQQ701 2.6 19.4 1.0 OE1 A:GLU171 2.6 24.7 1.0 O7A A:PQQ701 2.7 21.9 1.0 OD1 A:ASN255 2.8 20.4 1.0 CD A:GLU171 2.9 21.1 1.0 C5 A:PQQ701 3.4 17.2 1.0 OD2 A:ASP297 3.4 20.2 1.0 C6A A:PQQ701 3.5 18.0 1.0 C7 A:PQQ701 3.5 19.0 1.0 C7X A:PQQ701 3.5 19.4 1.0 O A:HOH703 3.5 44.5 1.0 CG A:ASN255 3.6 21.4 1.0 ND2 A:ASN255 3.9 21.7 1.0 O A:HOH786 4.0 17.6 1.0 CB A:ALA299 4.2 15.1 1.0 CG A:ASP297 4.2 20.9 1.0 OD1 A:ASP297 4.3 19.7 1.0 CG A:GLU171 4.4 18.7 1.0 CB A:ALA170 4.6 14.8 1.0 NH1 A:ARG324 4.7 13.6 1.0 NE1 A:TRP237 4.7 14.8 1.0 CZ2 A:TRP237 4.7 18.0 1.0 O7B A:PQQ701 4.7 17.0 1.0 O A:HOH792 4.7 17.1 1.0 C4 A:PQQ701 4.8 17.4 1.0 NE1 A:TRP259 4.8 18.4 1.0 C8 A:PQQ701 4.8 16.9 1.0 C9A A:PQQ701 4.9 15.9 1.0 CB A:ASN255 4.9 17.0 1.0 N A:GLU171 5.0 16.7 1.0

Calcium binding site 2 out of 2 in the Catalytic Mechanism of Quinoprotein Methanol Dehydrogenase: A Theoretical and X-Ray Crystallographic Investigation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Catalytic Mechanism of Quinoprotein Methanol Dehydrogenase: A Theoretical and X-Ray Crystallographic Investigation within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca704 b:51.3 occ:1.00 O5 C:PQQ703 2.4 22.9 1.0 N6 C:PQQ703 2.5 22.8 1.0 OE1 C:GLU171 2.7 28.1 1.0 OE2 C:GLU171 2.7 23.7 1.0 O7A C:PQQ703 2.7 23.6 1.0 OD1 C:ASN255 2.9 22.4 1.0 CD C:GLU171 3.1 26.1 1.0 C5 C:PQQ703 3.2 21.9 1.0 OD1 C:ASP297 3.3 26.9 1.0 C6A C:PQQ703 3.4 22.3 1.0 C7 C:PQQ703 3.4 22.5 1.0 C7X C:PQQ703 3.5 24.4 1.0 O C:HOH711 3.6 48.1 1.0 CG C:ASN255 3.7 20.2 1.0 O C:HOH775 3.9 19.9 1.0 ND2 C:ASN255 4.0 21.1 1.0 CB C:ALA299 4.1 16.4 1.0 CG C:ASP297 4.3 25.9 1.0 OD2 C:ASP297 4.4 26.2 1.0 CG C:GLU171 4.6 22.5 1.0 NH1 C:ARG324 4.6 18.8 1.0 NE1 C:TRP237 4.6 18.2 1.0 CZ2 C:TRP237 4.7 17.2 1.0 CB C:ALA170 4.7 18.6 1.0 C4 C:PQQ703 4.7 21.1 1.0 O7B C:PQQ703 4.8 22.6 1.0 C8 C:PQQ703 4.8 22.6 1.0 C9A C:PQQ703 4.8 22.2 1.0 CB C:ASN255 4.9 17.9 1.0 O C:HOH758 4.9 21.1 1.0 CE2 C:TRP237 4.9 19.1 1.0

Y.J.Zheng, Z.X.Xia, Z.W.Chen, F.S.Mathews, T.C.Bruice. Catalytic Mechanism of Quinoprotein Methanol Dehydrogenase: A Theoretical and X-Ray Crystallographic Investigation. Proc.Natl.Acad.Sci.Usa V. 98 432 2001.
ISSN: ISSN 0027-8424
PubMed: 11149955
DOI: 10.1073/PNAS.021547498