Calcium in PDB 2whk: Structure of Bacillus Subtilis Mannanase MAN26

All present enzymatic activity of Structure of Bacillus Subtilis Mannanase MAN26:
3.2.1.78;

The structure of Structure of Bacillus Subtilis Mannanase MAN26, PDB code: 2whk was solved by V.M.A.Ducros, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.48 / 1.70
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	67.498, 67.498, 72.966, 90.00, 90.00, 120.00
R / Rfree (%)	17 / 20.4

The structure of Structure of Bacillus Subtilis Mannanase MAN26 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Structure of Bacillus Subtilis Mannanase MAN26 (pdb code 2whk). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of Bacillus Subtilis Mannanase MAN26, PDB code: 2whk:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Bacillus Subtilis Mannanase MAN26


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Bacillus Subtilis Mannanase MAN26 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1339 b:17.8 occ:1.00 O A:THR319 2.4 15.4 1.0 OD1 A:ASN30 2.4 17.2 1.0 O A:HOH2325 2.4 23.0 1.0 OE1 A:GLU324 2.5 16.9 1.0 O A:HOH2333 2.5 16.5 1.0 O A:HOH2334 2.6 26.0 1.0 O A:HOH2322 2.6 18.6 1.0 OE2 A:GLU324 2.6 18.4 1.0 CD A:GLU324 2.9 17.5 1.0 CG A:ASN30 3.5 18.2 1.0 C A:THR319 3.6 15.1 1.0 ND2 A:ASN30 4.0 21.1 1.0 ND2 A:ASN321 4.2 14.2 1.0 CA A:LEU320 4.2 14.2 1.0 N A:LEU320 4.3 14.5 1.0 CG A:GLU324 4.4 17.2 1.0 O A:HOH2320 4.5 31.4 1.0 O A:ASP316 4.5 19.5 1.0 N A:ASN321 4.6 14.0 1.0 O A:HOH2094 4.7 22.5 1.0 CA A:THR319 4.7 15.3 1.0 O A:HOH2321 4.8 37.7 1.0 O A:SER317 4.8 19.0 1.0 CB A:ASN30 4.8 17.2 1.0 N A:THR319 4.8 15.8 1.0 C A:LEU320 4.9 14.0 1.0 O A:TYR314 4.9 17.6 1.0 CG A:ASN321 5.0 14.5 1.0 O A:HOH2332 5.0 29.7 1.0

Calcium binding site 2 out of 2 in the Structure of Bacillus Subtilis Mannanase MAN26


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Bacillus Subtilis Mannanase MAN26 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1340 b:21.9 occ:1.00 O A:GLY207 2.3 17.1 1.0 O A:HOH2236 2.3 24.3 1.0 O A:HOH2189 2.4 34.3 1.0 O A:HOH2184 2.4 23.6 1.0 OE1 A:GLU154 2.5 21.4 1.0 OE2 A:GLU154 2.5 20.4 1.0 CD A:GLU154 2.9 19.6 1.0 C A:GLY207 3.4 16.9 1.0 CA A:GLY207 4.2 17.2 1.0 N A:LEU208 4.3 16.5 1.0 CG A:GLU154 4.4 19.3 1.0 O A:HOH2021 4.4 40.1 1.0 CA A:LEU208 4.4 16.0 1.0 OD2 A:ASP209 4.4 19.0 1.0 NE2 A:GLN151 4.5 20.9 1.0 OE1 A:GLN151 4.5 22.1 1.0 O A:ARG206 4.5 18.4 1.0 N A:ASP209 4.6 16.2 1.0 O A:HOH2183 4.7 38.4 1.0 CG A:ASP209 4.9 17.5 1.0 CD A:GLN151 5.0 20.2 1.0

L.E.Tailford, V.M.A.Ducros, J.E.Flint, S.M.Roberts, C.Morland, D.L.Zechel, N.Smith, M.E.Bjornvad, T.V.Borchert, K.S.Wilson, G.J.Davies, H.J.Gilbert. Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates. Biochemistry V. 48 7009 2009.
ISSN: ISSN 0006-2960
PubMed: 19441796
DOI: 10.1021/BI900515D