Manganese in PDB 6wbt: 2.52 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Gut Microorganisms in Complex with Nad and Glucose- 6-Phosphate

The structure of 2.52 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Gut Microorganisms in Complex with Nad and Glucose- 6-Phosphate, PDB code: 6wbt was solved by R.Wu, Y.Kim, M.Endres, J.Joachimiak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.92 / 2.52
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	102.797, 219.724, 97.978, 90, 90, 90
R / Rfree (%)	22.7 / 26.6

The binding sites of Manganese atom in the 2.52 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Gut Microorganisms in Complex with Nad and Glucose- 6-Phosphate (pdb code 6wbt). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the 2.52 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Gut Microorganisms in Complex with Nad and Glucose- 6-Phosphate, PDB code: 6wbt:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the 2.52 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Gut Microorganisms in Complex with Nad and Glucose- 6-Phosphate


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of 2.52 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Gut Microorganisms in Complex with Nad and Glucose- 6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn501 b:59.7 occ:1.00 NE2 A:HIS201 2.1 90.8 1.0 O7N A:NAD503 2.2 75.2 1.0 SG A:CYS171 2.4 62.6 1.0 O2 A:G6P502 2.6 90.3 1.0 CE1 A:HIS201 2.8 96.7 1.0 C7N A:NAD503 2.9 73.8 1.0 O3 A:G6P502 3.2 89.8 1.0 N7N A:NAD503 3.2 74.4 1.0 CD2 A:HIS201 3.3 91.8 1.0 OD1 A:ASN149 3.5 63.2 1.0 C2 A:G6P502 3.7 90.5 1.0 CB A:CYS171 3.7 59.5 1.0 ND2 A:ASN149 3.7 66.1 1.0 C3 A:G6P502 3.8 89.5 1.0 ND1 A:HIS201 3.9 94.6 1.0 ND2 A:ASN200 4.0 56.5 1.0 CG A:ASN149 4.0 66.0 1.0 C3N A:NAD503 4.1 71.3 1.0 CG A:HIS201 4.2 91.6 1.0 OD1 A:ASN200 4.3 58.1 1.0 CB A:MSE173 4.4 59.5 1.0 CA A:CYS171 4.4 57.4 1.0 OD1 A:ASP172 4.5 71.9 1.0 CG A:ASN200 4.6 57.5 1.0 N A:ASP172 4.6 62.6 1.0 N A:MSE173 4.6 59.1 1.0 C2N A:NAD503 4.8 69.5 1.0 C4N A:NAD503 4.9 70.3 1.0 C1 A:G6P502 4.9 91.5 1.0 C A:CYS171 5.0 58.9 1.0

Manganese binding site 2 out of 4 in the 2.52 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Gut Microorganisms in Complex with Nad and Glucose- 6-Phosphate


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of 2.52 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Gut Microorganisms in Complex with Nad and Glucose- 6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn501 b:102.9 occ:1.00 SG B:CYS171 2.3 70.3 1.0 NE2 B:HIS201 2.5 55.7 1.0 O7N B:NAD503 2.6 80.7 1.0 C7N B:NAD503 2.9 80.0 1.0 N7N B:NAD503 3.0 80.6 1.0 CE1 B:HIS201 3.3 55.7 1.0 CD2 B:HIS201 3.6 55.1 1.0 OD1 B:ASN149 3.8 67.4 1.0 CB B:CYS171 3.8 69.4 1.0 ND2 B:ASN149 3.9 66.5 1.0 C3N B:NAD503 3.9 77.5 1.0 CB B:MSE173 4.1 71.7 1.0 CG B:ASN149 4.3 66.8 1.0 OD1 B:ASP172 4.3 93.1 1.0 N B:MSE173 4.4 77.0 1.0 N B:ASP172 4.5 83.7 1.0 OH B:TYR266 4.5 70.9 1.0 ND1 B:HIS201 4.5 55.5 1.0 CA B:CYS171 4.6 70.8 1.0 C4N B:NAD503 4.6 76.9 1.0 CG B:HIS201 4.7 54.6 1.0 CE2 B:TYR266 4.7 68.8 1.0 C2N B:NAD503 4.7 75.0 1.0 CA B:MSE173 4.9 72.4 1.0 OD1 B:ASN200 4.9 58.1 1.0 C B:CYS171 5.0 76.7 1.0 CZ B:TYR266 5.0 69.7 1.0

Manganese binding site 3 out of 4 in the 2.52 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Gut Microorganisms in Complex with Nad and Glucose- 6-Phosphate


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of 2.52 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Gut Microorganisms in Complex with Nad and Glucose- 6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn501 b:86.7 occ:0.47 O7N C:NAD503 2.2 87.1 1.0 O3 C:G6P502 2.2 92.4 1.0 SG C:CYS171 2.2 76.3 1.0 NE2 C:HIS201 2.3 82.7 1.0 CE1 C:HIS201 2.8 84.2 1.0 OD1 C:ASN149 2.9 83.2 1.0 C7N C:NAD503 3.2 88.1 1.0 CB C:CYS171 3.4 75.5 1.0 CD2 C:HIS201 3.5 80.5 1.0 C3 C:G6P502 3.5 92.8 1.0 ND2 C:ASN149 3.5 86.5 1.0 CG C:ASN149 3.6 84.2 1.0 ND2 C:ASN200 3.7 78.4 1.0 N7N C:NAD503 3.8 88.8 1.0 C2 C:G6P502 3.9 93.1 1.0 O2 C:G6P502 4.0 93.2 1.0 ND1 C:HIS201 4.0 83.1 1.0 OD1 C:ASN200 4.1 80.5 1.0 CA C:CYS171 4.2 76.7 1.0 C3N C:NAD503 4.2 88.2 1.0 CG C:ASN200 4.3 79.1 1.0 CG C:HIS201 4.3 80.6 1.0 C4 C:G6P502 4.6 93.0 1.0 C2N C:NAD503 4.6 87.5 1.0 CB C:MSE173 4.8 79.9 1.0 CB C:ALA151 4.8 55.8 1.0 N C:ASP172 4.8 93.7 1.0 O4 C:G6P502 4.9 92.0 1.0 OD1 C:ASP172 4.9 99.9 1.0 C C:CYS171 5.0 85.8 1.0

Manganese binding site 4 out of 4 in the 2.52 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Gut Microorganisms in Complex with Nad and Glucose- 6-Phosphate


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of 2.52 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha- Glucosidase From Gut Microorganisms in Complex with Nad and Glucose- 6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn902 b:41.3 occ:0.35 SG D:CYS171 2.2 79.6 1.0 NE2 D:HIS201 2.3 69.0 1.0 O2 D:G6P903 2.5 75.0 0.8 N7N D:NAD904 2.7 79.9 0.9 C7N D:NAD904 2.8 79.6 0.9 CE1 D:HIS201 2.9 70.8 1.0 O7N D:NAD904 2.9 80.3 0.9 OD1 D:ASN149 3.4 70.9 1.0 CB D:CYS171 3.5 77.2 1.0 CD2 D:HIS201 3.6 67.5 1.0 ND2 D:ASN149 3.6 73.1 1.0 C2 D:G6P903 3.6 75.3 0.8 C3N D:NAD904 3.8 78.0 0.9 CG D:ASN149 3.9 72.1 1.0 ND1 D:HIS201 4.2 70.7 1.0 O1 D:G6P903 4.3 75.4 0.8 CA D:CYS171 4.3 76.1 1.0 CB D:MSE173 4.3 74.0 1.0 C2N D:NAD904 4.4 77.3 0.9 N D:ASP172 4.5 87.9 1.0 CG D:HIS201 4.5 68.4 1.0 N D:MSE173 4.6 82.3 1.0 OD1 D:ASP172 4.6 99.3 1.0 C3 D:G6P903 4.6 75.3 0.8 C4N D:NAD904 4.6 77.4 0.9 C1 D:G6P903 4.6 75.6 0.8 OD1 D:ASN200 4.7 56.6 1.0 ND2 D:ASN200 4.7 61.1 1.0 C D:CYS171 4.8 82.1 1.0 O3 D:G6P903 4.8 75.7 0.8 OH D:TYR266 4.9 75.5 1.0

R.Wu, Y.Kim, M.Endres, J.Joachimiak. 2.52 Angstrom Resolution Crystal Structure of 6-Phospho-Alpha-Glucosidase From Gut Microorganisms in Complex with Nad and Glucose-6-Phosphate To Be Published.