Manganese in PDB 6tzp: W96F Oxalate Decarboxylase (B. Subtilis)

The structure of W96F Oxalate Decarboxylase (B. Subtilis), PDB code: 6tzp was solved by A.J.Pastore, M.J.Burg, U.T.Twahir, S.D.Bruner, A.Angerhofer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.87 / 1.72
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	155.073, 155.073, 123.079, 90, 90, 120
R / Rfree (%)	16.1 / 17.9

The binding sites of Manganese atom in the W96F Oxalate Decarboxylase (B. Subtilis) (pdb code 6tzp). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the W96F Oxalate Decarboxylase (B. Subtilis), PDB code: 6tzp:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the W96F Oxalate Decarboxylase (B. Subtilis)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of W96F Oxalate Decarboxylase (B. Subtilis) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:13.4 occ:1.00 OE1 A:GLU101 2.1 13.1 1.0 NE2 A:HIS95 2.2 12.9 1.0 NE2 A:HIS140 2.2 11.1 1.0 O A:HOH566 2.3 13.5 1.0 O A:HOH588 2.3 18.5 1.0 NE2 A:HIS97 2.4 11.9 1.0 CE1 A:HIS95 3.1 14.1 1.0 CD A:GLU101 3.2 14.0 1.0 CE1 A:HIS140 3.2 14.2 1.0 CD2 A:HIS140 3.2 13.3 1.0 CD2 A:HIS95 3.2 12.2 1.0 CD2 A:HIS97 3.3 14.9 1.0 CE1 A:HIS97 3.3 14.2 1.0 OE2 A:GLU101 3.6 15.7 1.0 O A:HOH555 4.0 22.4 1.0 ND1 A:HIS95 4.3 12.3 1.0 CE1 A:PHE155 4.3 13.4 1.0 ND1 A:HIS140 4.3 12.0 1.0 CG A:HIS95 4.3 11.0 1.0 CG A:HIS140 4.4 10.0 1.0 ND1 A:HIS97 4.5 16.1 1.0 CG A:HIS97 4.5 13.6 1.0 CG A:GLU101 4.5 12.2 1.0 OE2 A:GLU162 4.7 17.9 0.8 CB A:GLU101 4.7 11.8 1.0 CZ A:PHE155 4.7 14.9 1.0

Manganese binding site 2 out of 2 in the W96F Oxalate Decarboxylase (B. Subtilis)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of W96F Oxalate Decarboxylase (B. Subtilis) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:12.7 occ:1.00 OE1 A:GLU280 2.0 16.4 1.0 NE2 A:HIS275 2.2 11.4 1.0 O A:HOH531 2.2 15.2 1.0 NE2 A:HIS319 2.2 11.0 1.0 NE2 A:HIS273 2.2 9.5 1.0 CD A:GLU280 3.0 14.6 1.0 CD2 A:HIS275 3.1 10.2 1.0 CE1 A:HIS273 3.1 12.0 1.0 CE1 A:HIS319 3.2 10.6 1.0 CE1 A:HIS275 3.2 12.8 1.0 CD2 A:HIS319 3.2 10.0 1.0 CD2 A:HIS273 3.3 10.9 1.0 OE2 A:GLU280 3.4 14.5 1.0 OE2 A:GLU333 3.7 17.2 1.0 CD A:GLU333 4.2 23.0 1.0 ND1 A:HIS273 4.2 13.0 1.0 CG A:HIS275 4.2 13.0 1.0 ND1 A:HIS275 4.3 11.5 1.0 ND1 A:HIS319 4.3 11.7 1.0 CG A:HIS319 4.3 10.2 1.0 CG A:HIS273 4.3 12.2 1.0 CG A:GLU280 4.4 12.3 1.0 NH2 A:ARG270 4.7 15.1 1.0 CG A:GLU333 4.7 14.2 1.0 CZ A:PHE335 4.7 11.8 1.0 CB A:GLU280 4.8 11.5 1.0 OE1 A:GLU333 4.8 23.6 1.0 NE A:ARG270 5.0 16.0 1.0

A.J.Pastore, M.J.Burg, U.T.Twahir, S.D.Bruner, A.Angerhofer. W96F Oxalate Decarboxylase of Bacillus Subtilis at 1.72 Angstrom Resolution. To Be Published.