Manganese in PDB 3q4q: Crystal Structure of A Deletion Mutant(11-185) of Hypothetical Protein MJ0754 with MN2+

The structure of Crystal Structure of A Deletion Mutant(11-185) of Hypothetical Protein MJ0754 with MN2+, PDB code: 3q4q was solved by K.Y.Hwang, E.H.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.56 / 1.75
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.707, 79.387, 93.885, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 24

The binding sites of Manganese atom in the Crystal Structure of A Deletion Mutant(11-185) of Hypothetical Protein MJ0754 with MN2+ (pdb code 3q4q). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of A Deletion Mutant(11-185) of Hypothetical Protein MJ0754 with MN2+, PDB code: 3q4q:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of A Deletion Mutant(11-185) of Hypothetical Protein MJ0754 with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of A Deletion Mutant(11-185) of Hypothetical Protein MJ0754 with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:22.6 occ:1.00 OE2 A:GLU54 2.0 17.0 1.0 O A:HOH247 2.0 17.9 1.0 OE1 A:GLU113 2.2 17.3 1.0 OE2 A:GLU113 2.3 19.1 1.0 ND1 A:HIS146 2.4 24.6 1.0 CD A:GLU113 2.6 19.1 1.0 O A:HOH249 2.9 30.4 1.0 CD A:GLU54 3.0 18.6 1.0 CE1 A:HIS146 3.3 26.0 1.0 OE1 A:GLU54 3.3 18.2 1.0 MN A:MN202 3.4 17.2 1.0 CG A:HIS146 3.5 21.8 1.0 CB A:HIS146 3.8 17.5 1.0 OG A:SER143 4.0 22.6 1.0 CG A:GLU113 4.1 17.5 1.0 CA A:SER143 4.1 17.6 1.0 CG A:GLU54 4.3 16.8 1.0 CB A:SER143 4.4 17.7 1.0 NE2 A:HIS146 4.4 20.7 1.0 CG2 A:ILE50 4.4 18.1 1.0 CE2 A:TYR35 4.5 16.8 1.0 CD2 A:HIS146 4.6 22.6 1.0 OH A:TYR35 4.6 16.6 1.0 O A:HOH245 4.6 18.6 1.0 N A:SER143 4.7 17.8 1.0 ND1 A:HIS57 4.7 14.0 1.0 CE1 A:HIS57 4.7 22.6 1.0 CB A:ALA31 4.9 15.5 1.0 O A:GLY142 4.9 19.3 1.0 CB A:GLU113 4.9 19.3 1.0 OD2 A:ASP116 5.0 27.6 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of A Deletion Mutant(11-185) of Hypothetical Protein MJ0754 with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of A Deletion Mutant(11-185) of Hypothetical Protein MJ0754 with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:17.2 occ:1.00 O A:HOH247 1.9 17.9 1.0 OE1 A:GLU28 2.0 21.7 1.0 O A:HOH245 2.1 18.6 1.0 OE1 A:GLU54 2.2 18.2 1.0 ND1 A:HIS57 2.2 14.0 1.0 O A:HOH249 2.9 30.4 1.0 CE1 A:HIS57 3.1 22.6 1.0 CD A:GLU28 3.1 22.4 1.0 CD A:GLU54 3.2 18.6 1.0 CG A:HIS57 3.3 17.0 1.0 MN A:MN201 3.4 22.6 1.0 OE2 A:GLU54 3.5 17.0 1.0 OE2 A:GLU28 3.6 29.2 1.0 CB A:HIS57 3.7 16.7 1.0 OD2 A:ASP116 4.0 27.6 1.0 OG A:SER143 4.0 22.6 1.0 NE2 A:HIS57 4.3 21.3 1.0 CD2 A:HIS57 4.4 21.8 1.0 CG A:GLU28 4.4 19.4 1.0 CG A:ASP116 4.5 22.5 1.0 CG A:GLU54 4.6 16.8 1.0 O A:HOH226 4.6 24.3 1.0 CE1 A:HIS146 4.7 26.0 1.0 OD1 A:ASP116 4.7 27.5 1.0 CA A:GLU54 4.7 17.1 1.0 ND1 A:HIS146 4.7 24.6 1.0 O A:LEU139 4.8 21.9 1.0 CB A:GLU28 4.9 17.0 1.0 CB A:GLU54 4.9 16.1 1.0 CA A:GLU28 4.9 16.2 1.0 OE1 A:GLU113 5.0 17.3 1.0 CG A:LEU139 5.0 24.9 1.0

E.H.Lee, H.S.Kim, H.Y.Kim, Y.H.Jeon, K.Y.Hwang. Structural Insights Into the Metal Binding Properties of Hypothetical Protein MJ0754 From Methanococcus Jannaschii. Proteins V. 79 2358 2011.
ISSN: ESSN 1097-0134
PubMed: 21604308
DOI: 10.1002/PROT.23066