Manganese in PDB 1oi8: 5'-Nucleotidase (E. Coli) with An Engineered Disulfide Bridge (P90C, L424C)

All present enzymatic activity of 5'-Nucleotidase (E. Coli) with An Engineered Disulfide Bridge (P90C, L424C):
3.1.3.5; 3.6.1.45;

The structure of 5'-Nucleotidase (E. Coli) with An Engineered Disulfide Bridge (P90C, L424C), PDB code: 1oi8 was solved by R.Schultz-Heienbrok, T.Maier, N.Straeter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.96 / 2.10
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	97.689, 97.689, 312.051, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 20.5

The binding sites of Manganese atom in the 5'-Nucleotidase (E. Coli) with An Engineered Disulfide Bridge (P90C, L424C) (pdb code 1oi8). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the 5'-Nucleotidase (E. Coli) with An Engineered Disulfide Bridge (P90C, L424C), PDB code: 1oi8:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the 5'-Nucleotidase (E. Coli) with An Engineered Disulfide Bridge (P90C, L424C)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of 5'-Nucleotidase (E. Coli) with An Engineered Disulfide Bridge (P90C, L424C) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1551 b:21.9 occ:1.00 O1 A:CO31554 2.1 35.3 1.0 NE2 A:HIS217 2.1 17.7 1.0 OD1 A:ASN116 2.2 16.2 1.0 ND1 A:HIS252 2.2 25.3 1.0 O3 A:CO31554 2.3 26.9 1.0 OD2 A:ASP84 2.4 19.9 1.0 C A:CO31554 2.5 34.0 1.0 CE1 A:HIS252 3.0 30.9 1.0 CE1 A:HIS217 3.1 21.5 1.0 CD2 A:HIS217 3.1 19.8 1.0 CG A:ASN116 3.2 17.6 1.0 CG A:HIS252 3.3 24.1 1.0 CG A:ASP84 3.3 18.9 1.0 MN A:MN1552 3.4 29.4 1.0 ND2 A:ASN116 3.5 17.3 1.0 OD1 A:ASP84 3.6 17.6 1.0 O2 A:CO31554 3.7 33.5 1.0 CA A:HIS252 3.7 21.6 1.0 CB A:HIS252 3.7 22.3 1.0 OD1 A:ASP41 4.1 15.7 1.0 NE2 A:HIS252 4.2 27.1 1.0 ND1 A:HIS217 4.2 18.4 1.0 O A:HIS252 4.2 22.4 1.0 CD2 A:HIS117 4.2 23.9 1.0 CG A:HIS217 4.3 19.0 1.0 CD2 A:HIS252 4.3 26.7 1.0 C A:HIS252 4.4 22.1 1.0 CB A:ASN116 4.5 19.1 1.0 N A:ASN116 4.5 19.0 1.0 CB A:ASP84 4.5 16.4 1.0 N A:HIS252 4.8 19.9 1.0 NE2 A:HIS117 4.9 23.9 1.0

Manganese binding site 2 out of 4 in the 5'-Nucleotidase (E. Coli) with An Engineered Disulfide Bridge (P90C, L424C)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of 5'-Nucleotidase (E. Coli) with An Engineered Disulfide Bridge (P90C, L424C) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1552 b:29.4 occ:1.00 OD1 A:ASP41 2.1 15.7 1.0 O1 A:CO31554 2.2 35.3 1.0 NE2 A:HIS43 2.3 16.4 1.0 OE1 A:GLN254 2.3 21.4 1.0 OD2 A:ASP84 2.3 19.9 1.0 C A:CO31554 2.7 34.0 1.0 O2 A:CO31554 2.8 33.5 1.0 CE1 A:HIS43 3.1 14.5 1.0 CG A:ASP84 3.3 18.9 1.0 CG A:ASP41 3.3 16.3 1.0 CD A:GLN254 3.3 22.4 1.0 CD2 A:HIS43 3.3 18.6 1.0 MN A:MN1551 3.4 21.9 1.0 CB A:ASP84 3.6 16.4 1.0 O3 A:CO31554 3.8 26.9 1.0 CB A:ASP41 3.9 16.6 1.0 CG A:GLN254 3.9 21.1 1.0 CE1 A:HIS217 4.2 21.5 1.0 OD2 A:ASP41 4.2 19.2 1.0 O A:HOH2475 4.3 37.6 1.0 ND1 A:HIS43 4.3 17.5 1.0 NE2 A:HIS217 4.3 17.7 1.0 O A:HIS252 4.4 22.4 1.0 OD1 A:ASP84 4.4 17.6 1.0 NE2 A:GLN254 4.4 16.0 1.0 CG A:HIS43 4.4 17.6 1.0 CD2 A:HIS117 4.4 23.9 1.0 CA A:ASP41 4.6 16.0 1.0 CA A:HIS252 4.6 21.6 1.0 NE2 A:HIS117 4.9 23.9 1.0 C A:HIS252 4.9 22.1 1.0

Manganese binding site 3 out of 4 in the 5'-Nucleotidase (E. Coli) with An Engineered Disulfide Bridge (P90C, L424C)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of 5'-Nucleotidase (E. Coli) with An Engineered Disulfide Bridge (P90C, L424C) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1551 b:32.9 occ:1.00 O1 B:CO31554 2.1 36.7 1.0 OD1 B:ASP41 2.2 19.0 1.0 O3 B:CO31554 2.4 37.5 1.0 OD2 B:ASP84 2.4 14.0 1.0 OE1 B:GLN254 2.4 22.2 1.0 NE2 B:HIS43 2.4 18.4 1.0 C B:CO31554 2.5 38.5 1.0 CG B:ASP84 3.3 16.9 1.0 CE1 B:HIS43 3.3 18.7 1.0 CD B:GLN254 3.3 24.2 1.0 CG B:ASP41 3.4 19.2 1.0 CD2 B:HIS43 3.4 19.1 1.0 MN B:MN1552 3.4 22.0 1.0 O B:HOH2441 3.4 42.8 1.0 CB B:ASP84 3.5 16.7 1.0 O2 B:CO31554 3.8 35.8 1.0 CB B:ASP41 3.8 16.5 1.0 CG B:GLN254 3.9 23.9 1.0 CE1 B:HIS217 4.2 19.0 1.0 O B:HOH2203 4.3 42.0 1.0 O B:HIS252 4.4 22.4 1.0 NE2 B:GLN254 4.4 17.9 1.0 OD2 B:ASP41 4.4 20.5 1.0 NE2 B:HIS217 4.4 15.3 1.0 OD1 B:ASP84 4.4 16.9 1.0 ND1 B:HIS43 4.4 16.5 1.0 CD2 B:HIS117 4.4 16.8 1.0 CG B:HIS43 4.5 17.7 1.0 CA B:HIS252 4.6 19.5 1.0 CA B:ASP41 4.6 16.9 1.0 O B:HOH2201 4.8 51.8 1.0 ND1 B:HIS252 4.9 24.2 1.0 C B:HIS252 4.9 20.1 1.0 NE2 B:HIS117 5.0 14.6 1.0 CA B:ASP84 5.0 17.1 1.0

Manganese binding site 4 out of 4 in the 5'-Nucleotidase (E. Coli) with An Engineered Disulfide Bridge (P90C, L424C)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of 5'-Nucleotidase (E. Coli) with An Engineered Disulfide Bridge (P90C, L424C) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1552 b:22.0 occ:1.00 O1 B:CO31554 2.1 36.7 1.0 ND1 B:HIS252 2.1 24.2 1.0 NE2 B:HIS217 2.1 15.3 1.0 OD1 B:ASN116 2.2 19.1 1.0 OD2 B:ASP84 2.3 14.0 1.0 C B:CO31554 2.6 38.5 1.0 O2 B:CO31554 2.9 35.8 1.0 CE1 B:HIS252 2.9 24.3 1.0 CE1 B:HIS217 3.0 19.0 1.0 CD2 B:HIS217 3.2 20.6 1.0 CG B:HIS252 3.2 20.5 1.0 CG B:ASP84 3.2 16.9 1.0 CG B:ASN116 3.3 19.7 1.0 MN B:MN1551 3.4 32.9 1.0 OD1 B:ASP84 3.6 16.9 1.0 O3 B:CO31554 3.7 37.5 1.0 ND2 B:ASN116 3.7 20.0 1.0 CB B:HIS252 3.7 19.8 1.0 CA B:HIS252 3.8 19.5 1.0 NE2 B:HIS252 4.1 21.9 1.0 OD1 B:ASP41 4.2 19.0 1.0 ND1 B:HIS217 4.2 15.1 1.0 CD2 B:HIS252 4.2 23.2 1.0 CG B:HIS217 4.3 21.5 1.0 CD2 B:HIS117 4.3 16.8 1.0 O B:HIS252 4.3 22.4 1.0 CB B:ASP84 4.5 16.7 1.0 N B:ASN116 4.5 18.0 1.0 C B:HIS252 4.6 20.1 1.0 CB B:ASN116 4.6 18.3 1.0 N B:HIS252 4.8 19.0 1.0

R.Schultz-Heienbrok, T.Maier, N.Straeter. Trapping A 96 Degree Domain Rotation in Two Distinct Conformations By Engineered Disulfide Bridges Protein Sci. V. 13 1811 2004.
ISSN: ISSN 0961-8368
PubMed: 15215524
DOI: 10.1110/PS.04629604