Calcium in PDB 4aah: Methanol Dehydrogenase From Methylophilus W3A1

All present enzymatic activity of Methanol Dehydrogenase From Methylophilus W3A1:
1.1.99.8;

The structure of Methanol Dehydrogenase From Methylophilus W3A1, PDB code: 4aah was solved by F.S.Mathews, Z.-X.Xia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	124.900, 62.700, 85.000, 90.00, 93.40, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Calcium atom in the Methanol Dehydrogenase From Methylophilus W3A1 (pdb code 4aah). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Methanol Dehydrogenase From Methylophilus W3A1, PDB code: 4aah:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Methanol Dehydrogenase From Methylophilus W3A1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Methanol Dehydrogenase From Methylophilus W3A1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca702 b:21.9 occ:1.00 OE2 A:GLU171 2.1 16.3 1.0 O7A A:PQQ701 2.2 11.6 1.0 N6 A:PQQ701 2.4 11.0 1.0 O5 A:PQQ701 2.5 11.2 1.0 OD1 A:ASN255 2.6 12.7 1.0 CD A:GLU171 2.9 15.8 1.0 OE1 A:GLU171 3.0 15.2 1.0 C7X A:PQQ701 3.1 11.9 1.0 C7 A:PQQ701 3.2 11.2 1.0 OD1 A:ASP297 3.3 13.0 1.0 O A:HOH784 3.4 19.8 1.0 C5 A:PQQ701 3.4 11.5 1.0 C6A A:PQQ701 3.4 11.4 1.0 CG A:ASN255 3.5 12.5 1.0 ND2 A:ASN255 3.8 12.4 1.0 CB A:ALA299 4.1 6.3 1.0 O A:HOH728 4.2 6.3 1.0 CG A:ASP297 4.2 12.6 1.0 OD2 A:ASP297 4.3 14.0 1.0 CG A:GLU171 4.3 14.6 1.0 O7B A:PQQ701 4.3 11.8 1.0 O A:HOH834 4.5 16.0 1.0 NE1 A:TRP237 4.5 7.0 1.0 C8 A:PQQ701 4.6 11.2 1.0 NH2 A:ARG324 4.6 9.4 1.0 C4 A:PQQ701 4.7 11.4 1.0 CZ2 A:TRP237 4.7 5.9 1.0 NE1 A:TRP259 4.7 12.1 1.0 C9A A:PQQ701 4.7 10.9 1.0 CB A:ASN255 4.9 12.3 1.0 CE2 A:TRP237 4.9 6.1 1.0 CB A:ALA170 4.9 10.8 1.0 NH1 A:ARG324 5.0 9.4 1.0

Calcium binding site 2 out of 2 in the Methanol Dehydrogenase From Methylophilus W3A1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Methanol Dehydrogenase From Methylophilus W3A1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca702 b:19.3 occ:1.00 OE1 C:GLU171 2.3 7.0 1.0 O7A C:PQQ701 2.3 2.0 1.0 N6 C:PQQ701 2.5 2.7 1.0 O5 C:PQQ701 2.5 3.4 1.0 OD1 C:ASN255 2.8 4.6 1.0 CD C:GLU171 2.9 6.9 1.0 OE2 C:GLU171 2.9 6.2 1.0 C7X C:PQQ701 3.1 2.4 1.0 C7 C:PQQ701 3.3 2.4 1.0 C5 C:PQQ701 3.4 3.9 1.0 C6A C:PQQ701 3.4 3.4 1.0 O C:HOH821 3.6 7.9 1.0 CG C:ASN255 3.7 2.4 1.0 OD1 C:ASP297 3.7 6.7 1.0 O C:HOH822 3.9 2.0 1.0 ND2 C:ASN255 4.1 2.8 1.0 O7B C:PQQ701 4.3 2.2 1.0 CB C:ALA299 4.3 2.0 1.0 O C:HOH744 4.3 6.2 1.0 OD2 C:ASP297 4.4 5.7 1.0 CG C:GLU171 4.4 6.5 1.0 NE1 C:TRP237 4.5 2.0 1.0 CG C:ASP297 4.5 5.5 1.0 CB C:ALA170 4.5 5.7 1.0 CZ2 C:TRP237 4.6 2.0 1.0 C8 C:PQQ701 4.6 2.3 1.0 C4 C:PQQ701 4.7 3.5 1.0 C9A C:PQQ701 4.8 3.4 1.0 CE2 C:TRP237 4.8 2.0 1.0 N C:GLU171 4.8 5.0 1.0 CB C:ASN255 4.9 2.4 1.0 NH2 C:ARG324 4.9 2.0 1.0 NE1 C:TRP259 4.9 2.0 1.0

Z.Xia, W.Dai, Y.Zhang, S.A.White, G.D.Boyd, F.S.Mathews. Determination of the Gene Sequence and the Three-Dimensional Structure at 2.4 Angstroms Resolution of Methanol Dehydrogenase From Methylophilus W3A1. J.Mol.Biol. V. 259 480 1996.
ISSN: ISSN 0022-2836
PubMed: 8676383
DOI: 10.1006/JMBI.1996.0334