Manganese in PDB 3s0m: A Structural Element That Modulates Proton-Coupled Electron Transfer in Oxalate Decarboxylase

All present enzymatic activity of A Structural Element That Modulates Proton-Coupled Electron Transfer in Oxalate Decarboxylase:
4.1.1.2;

The structure of A Structural Element That Modulates Proton-Coupled Electron Transfer in Oxalate Decarboxylase, PDB code: 3s0m was solved by B.T.Saylor, L.A.Reinhardt, Z.Lu, M.S.Shukla, W.W.Cleland, K.N.Allen, N.G.J.Richards, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.61 / 2.31
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	154.761, 154.761, 121.499, 90.00, 90.00, 120.00
R / Rfree (%)	18.6 / 25.5

The binding sites of Manganese atom in the A Structural Element That Modulates Proton-Coupled Electron Transfer in Oxalate Decarboxylase (pdb code 3s0m). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the A Structural Element That Modulates Proton-Coupled Electron Transfer in Oxalate Decarboxylase, PDB code: 3s0m:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the A Structural Element That Modulates Proton-Coupled Electron Transfer in Oxalate Decarboxylase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of A Structural Element That Modulates Proton-Coupled Electron Transfer in Oxalate Decarboxylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn500 b:7.5 occ:1.00 NE2 A:HIS95 2.1 11.5 1.0 OE1 A:GLU101 2.2 10.2 1.0 NE2 A:HIS140 2.3 8.6 1.0 O A:HOH657 2.4 1.9 1.0 NE2 A:HIS97 2.5 0.8 1.0 O2 A:CO3600 2.5 0.0 1.0 CE1 A:HIS95 3.1 5.9 1.0 CD2 A:HIS95 3.2 12.9 1.0 CD2 A:HIS140 3.2 3.5 1.0 CD A:GLU101 3.2 12.5 1.0 CD2 A:HIS97 3.3 0.8 1.0 CE1 A:HIS140 3.4 9.1 1.0 CE1 A:HIS97 3.5 13.8 1.0 C A:CO3600 3.5 4.8 0.0 OE2 A:GLU101 3.6 14.8 1.0 O3 A:CO3600 3.9 4.8 1.0 CE1 A:PHE155 4.1 5.7 1.0 ND1 A:HIS95 4.2 8.3 1.0 CG A:HIS95 4.3 12.9 1.0 CZ A:PHE155 4.4 10.3 1.0 CG A:HIS140 4.4 3.0 1.0 ND1 A:HIS140 4.5 3.0 1.0 CG A:HIS97 4.5 9.5 1.0 CG A:GLU101 4.5 4.5 1.0 ND1 A:HIS97 4.6 10.6 1.0 O1 A:CO3600 4.6 0.0 1.0 CB A:GLU101 4.8 0.8 1.0

Manganese binding site 2 out of 2 in the A Structural Element That Modulates Proton-Coupled Electron Transfer in Oxalate Decarboxylase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of A Structural Element That Modulates Proton-Coupled Electron Transfer in Oxalate Decarboxylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn501 b:12.0 occ:1.00 O A:HOH720 2.2 25.3 1.0 NE2 A:HIS275 2.3 3.7 1.0 OE2 A:GLU280 2.3 23.6 1.0 NE2 A:HIS319 2.3 12.7 1.0 O A:HOH576 2.3 0.1 1.0 NE2 A:HIS273 2.4 8.5 1.0 CD A:GLU280 3.0 22.9 1.0 CD2 A:HIS319 3.1 6.8 1.0 CD2 A:HIS275 3.2 7.0 1.0 OE1 A:GLU280 3.2 22.9 1.0 CE1 A:HIS273 3.3 8.1 1.0 CE1 A:HIS275 3.3 7.1 1.0 CD2 A:HIS273 3.3 7.2 1.0 CE1 A:HIS319 3.4 16.4 1.0 OE2 A:GLU333 3.8 20.5 1.0 CD A:GLU333 4.2 22.3 1.0 CG A:HIS319 4.3 11.2 1.0 CG A:HIS275 4.4 11.5 1.0 ND1 A:HIS273 4.4 1.5 1.0 CG A:GLU280 4.4 20.9 1.0 ND1 A:HIS275 4.4 14.9 1.0 ND1 A:HIS319 4.4 6.5 1.0 CG A:HIS273 4.4 9.6 1.0 CG A:GLU333 4.6 13.9 1.0 CB A:GLU280 4.7 15.0 1.0 CZ A:PHE335 4.8 13.2 1.0 NH2 A:ARG270 4.8 13.6 1.0 OE1 A:GLU333 4.9 28.1 1.0

B.T.Saylor, L.A.Reinhardt, Z.Lu, M.S.Shukla, L.Nguyen, W.W.Cleland, A.Angerhofer, K.N.Allen, N.G.Richards. A Structural Element That Facilitates Proton-Coupled Electron Transfer in Oxalate Decarboxylase. Biochemistry V. 51 2911 2012.
ISSN: ISSN 0006-2960
PubMed: 22404040
DOI: 10.1021/BI300001Q