Manganese in PDB 8a1b: Trai Trans-Esterase Domain From PKM101 (Apo)

The structure of Trai Trans-Esterase Domain From PKM101 (Apo), PDB code: 8a1b was solved by A.Breidenstein, R.P.-A.Berntsson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.22 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.166, 80.628, 90.575, 90, 90, 90
R / Rfree (%)	17.4 / 19.5

The structure of Trai Trans-Esterase Domain From PKM101 (Apo) also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Manganese atom in the Trai Trans-Esterase Domain From PKM101 (Apo) (pdb code 8a1b). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Trai Trans-Esterase Domain From PKM101 (Apo), PDB code: 8a1b:

Manganese binding site 1 out of 1 in the Trai Trans-Esterase Domain From PKM101 (Apo)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Trai Trans-Esterase Domain From PKM101 (Apo) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn405 b:16.7 occ:1.00 NE2 A:HIS162 2.1 15.4 1.0 NE2 A:HIS160 2.1 18.8 1.0 ND1 A:HIS149 2.1 16.5 1.0 O A:HOH664 2.2 27.6 1.0 O A:HOH645 2.3 31.4 1.0 O A:HOH559 2.5 36.5 1.0 CE1 A:HIS149 3.0 18.9 1.0 CD2 A:HIS162 3.0 17.8 1.0 CE1 A:HIS160 3.1 21.2 1.0 CD2 A:HIS160 3.1 17.6 1.0 HE1 A:HIS149 3.1 22.8 1.0 CE1 A:HIS162 3.1 20.2 1.0 HB2 A:HIS149 3.1 24.0 1.0 HD2 A:HIS162 3.2 21.3 1.0 CG A:HIS149 3.2 19.4 1.0 HE1 A:HIS160 3.2 25.5 1.0 HD2 A:HIS160 3.2 21.1 1.0 HE1 A:HIS162 3.3 24.2 1.0 CB A:HIS149 3.6 19.9 1.0 HB3 A:HIS149 3.9 24.0 1.0 NE2 A:HIS149 4.1 19.6 1.0 ND1 A:HIS160 4.2 20.0 1.0 ND1 A:HIS162 4.2 19.6 1.0 CG A:HIS162 4.2 17.4 1.0 CG A:HIS160 4.2 19.3 1.0 CD2 A:HIS149 4.2 17.9 1.0 O A:HOH539 4.3 33.6 1.0 O A:HOH674 4.4 50.1 1.0 OD1 A:ASP21 4.5 31.5 1.0 HB3 A:ASP21 4.5 28.8 1.0 HB2 A:ASP21 4.6 28.8 1.0 HE2 A:HIS149 4.9 23.5 1.0 HD1 A:HIS160 4.9 24.1 1.0 CB A:ASP21 5.0 24.0 1.0 O A:THR151 5.0 20.6 1.0 HD1 A:HIS162 5.0 23.5 1.0

A.Breidenstein, J.Ter Beek, R.P.-A.Berntsson. Structural and Functional Characterization of Trai From PKM101 Reveals Basis For Dna Processing To Be Published.