Manganese in PDB 7qpr: Structure of Full Length Spot

All present enzymatic activity of Structure of Full Length Spot:
2.7.6.5;

The structure of Structure of Full Length Spot, PDB code: 7qpr was solved by A.Garcia-Pino, H.Tamman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.88 / 2.51
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	128.791, 133.761, 211.328, 90, 90, 90
R / Rfree (%)	22.1 / 25.8

The structure of Structure of Full Length Spot also contains other interesting chemical elements:

Zinc	(Zn)	4 atoms
Magnesium	(Mg)	2 atoms
Chlorine	(Cl)	3 atoms

The binding sites of Manganese atom in the Structure of Full Length Spot (pdb code 7qpr). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Structure of Full Length Spot, PDB code: 7qpr:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Structure of Full Length Spot


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of Full Length Spot within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn801 b:121.8 occ:1.00 O1C A:G4P803 2.4 155.4 1.0 OD2 A:ASP79 2.6 74.5 1.0 OD1 A:ASP143 2.6 58.3 1.0 NE2 A:HIS54 2.8 57.3 1.0 NE2 A:HIS78 2.8 68.0 1.0 CG A:ASP79 3.3 72.1 1.0 OD1 A:ASP79 3.3 72.9 1.0 CD2 A:HIS54 3.4 56.3 1.0 CE1 A:HIS78 3.6 67.7 1.0 CG A:ASP143 3.7 56.6 1.0 OH A:TYR51 3.7 76.9 1.0 PC A:G4P803 3.8 155.3 1.0 CE1 A:HIS54 3.9 57.5 1.0 CD2 A:HIS78 3.9 66.8 1.0 O2' A:G4P803 3.9 154.5 1.0 OD2 A:ASP143 4.1 58.9 1.0 O2C A:G4P803 4.2 155.4 1.0 ND2 A:ASN147 4.3 58.4 1.0 CG A:HIS54 4.5 55.4 1.0 O3' A:G4P803 4.7 155.1 1.0 O A:HOH922 4.7 53.2 1.0 ND1 A:HIS54 4.8 57.0 1.0 CB A:ASP79 4.8 67.0 1.0 O A:HOH935 4.8 65.8 1.0 CZ A:TYR51 4.8 75.5 1.0 O3C A:G4P803 4.8 155.3 1.0 ND1 A:HIS78 4.8 67.1 1.0 OD1 A:ASN147 4.8 59.9 1.0 CG A:HIS78 4.9 65.4 1.0 CB A:ASP143 4.9 49.8 1.0

Manganese binding site 2 out of 4 in the Structure of Full Length Spot


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of Full Length Spot within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn801 b:133.2 occ:1.00 OD1 B:ASP143 2.3 54.7 1.0 OD2 B:ASP79 2.6 94.7 1.0 NE2 B:HIS54 2.7 70.7 1.0 NE2 B:HIS78 2.8 81.5 1.0 CD2 B:HIS54 3.3 69.8 1.0 CG B:ASP79 3.4 92.5 1.0 OD1 B:ASP79 3.4 93.7 1.0 CG B:ASP143 3.5 53.9 1.0 O2' B:G4P803 3.5 192.0 1.0 CE1 B:HIS78 3.6 81.5 1.0 CE1 B:HIS54 3.7 70.8 1.0 O1C B:G4P803 3.8 191.4 1.0 CD2 B:HIS78 3.8 80.5 1.0 OH B:TYR51 3.9 91.4 1.0 OD2 B:ASP143 3.9 56.0 1.0 ND2 B:ASN147 4.3 67.9 1.0 CG B:HIS54 4.4 69.1 1.0 O3' B:G4P803 4.6 191.7 1.0 ND1 B:HIS54 4.7 70.6 1.0 CB B:ASP143 4.7 49.4 1.0 ND1 B:HIS78 4.7 81.0 1.0 OD1 B:ASN147 4.7 69.2 1.0 PC B:G4P803 4.8 191.5 1.0 CB B:ASP79 4.8 86.9 1.0 CG B:HIS78 4.9 79.4 1.0 C2' B:G4P803 4.9 191.9 1.0 CG B:ASN147 5.0 67.6 1.0 CZ B:TYR51 5.0 90.2 1.0

Manganese binding site 3 out of 4 in the Structure of Full Length Spot


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Structure of Full Length Spot within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn801 b:124.4 occ:1.00 OD1 C:ASP143 2.4 59.4 1.0 NE2 C:HIS78 2.7 73.9 1.0 NE2 C:HIS54 2.7 61.2 1.0 O C:HOH932 2.9 121.7 1.0 OD2 C:ASP79 3.0 80.6 1.0 CD2 C:HIS54 3.3 60.6 1.0 CG C:ASP143 3.5 58.5 1.0 CD2 C:HIS78 3.6 72.5 1.0 CE1 C:HIS78 3.6 73.9 1.0 OD1 C:ASP79 3.7 80.0 1.0 CE1 C:HIS54 3.8 61.4 1.0 CG C:ASP79 3.8 78.8 1.0 OH C:TYR51 3.8 87.9 1.0 OD2 C:ASP143 3.9 61.9 1.0 O2' C:G4P803 4.0 190.9 1.0 CG C:HIS54 4.5 60.0 1.0 ND2 C:ASN147 4.6 63.8 1.0 O3C C:G4P803 4.7 189.9 1.0 ND1 C:HIS54 4.7 61.2 1.0 OD1 C:ASN147 4.7 63.6 1.0 CB C:ASP143 4.7 51.0 1.0 CG C:HIS78 4.8 71.2 1.0 ND1 C:HIS78 4.8 73.4 1.0 O2D C:G4P803 4.8 189.5 1.0 O C:HOH981 4.8 70.6 1.0 CZ C:TYR51 4.9 86.6 1.0

Manganese binding site 4 out of 4 in the Structure of Full Length Spot


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Structure of Full Length Spot within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn801 b:134.7 occ:1.00 OD1 D:ASP143 2.5 55.0 1.0 NE2 D:HIS78 2.9 78.2 1.0 OD2 D:ASP79 2.9 87.8 1.0 OD1 D:ASP79 3.2 87.3 1.0 CG D:ASP143 3.3 54.0 1.0 CG D:ASP79 3.4 86.1 1.0 OD2 D:ASP143 3.6 56.7 1.0 NE2 D:HIS54 3.6 63.0 1.0 CD2 D:HIS78 3.6 77.2 1.0 O3C D:G4P803 3.7 127.6 0.8 O2C D:G4P803 3.8 127.6 0.8 CE1 D:HIS78 3.9 78.1 1.0 O3' D:G4P803 4.0 127.6 0.8 O2' D:G4P803 4.0 127.0 0.8 PC D:G4P803 4.2 127.7 0.8 OH D:TYR51 4.2 91.3 1.0 CD2 D:HIS54 4.3 62.3 1.0 ND2 D:ASN147 4.3 65.6 1.0 CE1 D:HIS54 4.6 63.2 1.0 CB D:ASP143 4.7 48.9 1.0 CG D:HIS78 4.8 75.9 1.0 O D:HOH949 4.9 44.1 1.0 CB D:ASP79 4.9 81.3 1.0 ND1 D:HIS78 5.0 77.6 1.0

A.Garcia-Pino, H.Tamman. Structure of Full Length Spot To Be Published.