Calcium in PDB 1w6s: The High Resolution Structure of Methanol Dehydrogenase From Methylobacterium Extorquens

All present enzymatic activity of The High Resolution Structure of Methanol Dehydrogenase From Methylobacterium Extorquens:
1.1.99.8;

The structure of The High Resolution Structure of Methanol Dehydrogenase From Methylobacterium Extorquens, PDB code: 1w6s was solved by P.A.Williams, L.Coates, F.Mohammed, R.Gill, P.T.Erskine, S.P.Wood, C.Anthony, J.B.Cooper, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	62.900, 73.620, 88.080, 86.09, 104.11, 109.68
R / Rfree (%)	15.8 / 17.7

The binding sites of Calcium atom in the The High Resolution Structure of Methanol Dehydrogenase From Methylobacterium Extorquens (pdb code 1w6s). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The High Resolution Structure of Methanol Dehydrogenase From Methylobacterium Extorquens, PDB code: 1w6s:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The High Resolution Structure of Methanol Dehydrogenase From Methylobacterium Extorquens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The High Resolution Structure of Methanol Dehydrogenase From Methylobacterium Extorquens within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1599 b:25.4 occ:0.64 O5 A:PQQ1596 2.3 19.5 1.0 N6 A:PQQ1596 2.3 14.4 1.0 OE2 A:GLU177 2.4 26.3 1.0 O7A A:PQQ1596 2.4 20.1 1.0 OE1 A:GLU177 2.8 16.5 1.0 CD A:GLU177 2.9 20.6 1.0 OD1 A:ASN261 3.2 16.3 1.0 C6A A:PQQ1596 3.2 14.6 1.0 C5 A:PQQ1596 3.2 16.2 1.0 C7 A:PQQ1596 3.3 14.1 1.0 C7X A:PQQ1596 3.3 14.9 1.0 O A:HOH2602 3.6 28.7 1.0 OD1 A:ASP303 3.7 21.7 1.0 CG A:ASN261 4.0 13.0 1.0 O A:HOH2329 4.2 13.5 1.0 ND2 A:ASN261 4.2 13.8 1.0 CG A:GLU177 4.4 16.8 1.0 O7B A:PQQ1596 4.5 13.3 1.0 CB A:ALA305 4.5 12.2 1.0 C4 A:PQQ1596 4.5 16.8 1.0 O A:HOH2252 4.5 18.5 1.0 OD2 A:ASP303 4.6 19.8 1.0 C8 A:PQQ1596 4.6 13.0 1.0 CG A:ASP303 4.6 16.9 1.0 C9A A:PQQ1596 4.6 14.7 1.0 CZ2 A:TRP243 4.7 13.4 1.0 NE1 A:TRP243 4.7 11.0 1.0 NH2 A:ARG331 4.8 12.9 1.0 CB A:ALA176 4.9 12.3 1.0

Calcium binding site 2 out of 2 in the The High Resolution Structure of Methanol Dehydrogenase From Methylobacterium Extorquens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The High Resolution Structure of Methanol Dehydrogenase From Methylobacterium Extorquens within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca3599 b:25.2 occ:0.61 O5 C:PQQ3597 2.3 17.5 1.0 OE2 C:GLU2177 2.4 29.1 1.0 N6 C:PQQ3597 2.4 17.1 1.0 O7A C:PQQ3597 2.5 19.1 1.0 OE1 C:GLU2177 2.8 18.8 1.0 CD C:GLU2177 2.9 20.6 1.0 OD1 C:ASN2261 3.1 13.9 1.0 C5 C:PQQ3597 3.2 19.3 1.0 C6A C:PQQ3597 3.3 13.7 1.0 C7 C:PQQ3597 3.3 15.5 1.0 C7X C:PQQ3597 3.4 17.1 1.0 OD2 C:ASP2303 3.6 20.8 1.0 O C:HOH4356 3.7 34.7 1.0 CG C:ASN2261 4.0 12.4 1.0 O C:HOH4609 4.1 13.8 1.0 ND2 C:ASN2261 4.2 16.6 1.0 CG C:GLU2177 4.4 22.5 1.0 CG C:ASP2303 4.5 17.7 1.0 CB C:ALA2305 4.5 10.7 1.0 OD1 C:ASP2303 4.5 20.1 1.0 O C:HOH4212 4.6 18.1 1.0 O7B C:PQQ3597 4.6 13.9 1.0 C4 C:PQQ3597 4.6 16.2 1.0 NE1 C:TRP2243 4.7 12.9 1.0 CZ2 C:TRP2243 4.7 13.6 1.0 C8 C:PQQ3597 4.7 12.9 1.0 C9A C:PQQ3597 4.7 13.4 1.0 NH2 C:ARG2331 4.8 11.9 1.0 CB C:ALA2176 4.9 14.3 1.0 CE2 C:TRP2243 5.0 12.1 1.0

P.A.Williams, L.Coates, F.Mohammed, R.Gill, P.T.Erskine, S.P.Wood, C.Anthony, J.B.Cooper. The Atomic Resolution Structure of Methanol Dehydrogenase From Methylobacterium Extorquens Acta Crystallogr.,Sect.D V. 61 75 2005.
ISSN: ISSN 0907-4449
PubMed: 15608378
DOI: 10.1107/S0907444904026964