Manganese in PDB 6qua: The Complex Structure of Hsrosr-Sg (VNG0258/Rosr-Sg)

The structure of The Complex Structure of Hsrosr-Sg (VNG0258/Rosr-Sg), PDB code: 6qua was solved by B.Shaanan, N.Kutnowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.79 / 2.68
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	47.279, 84.665, 90.400, 81.91, 87.13, 75.61
R / Rfree (%)	23.8 / 28.9

The binding sites of Manganese atom in the The Complex Structure of Hsrosr-Sg (VNG0258/Rosr-Sg) (pdb code 6qua). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the The Complex Structure of Hsrosr-Sg (VNG0258/Rosr-Sg), PDB code: 6qua:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the The Complex Structure of Hsrosr-Sg (VNG0258/Rosr-Sg)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Complex Structure of Hsrosr-Sg (VNG0258/Rosr-Sg) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:1.0 occ:1.00 HZ2 A:LYS37 2.0 64.5 1.0 NZ A:LYS37 2.6 53.2 1.0 HZ1 A:LYS37 2.6 64.5 1.0 HZ3 A:LYS37 2.6 64.5 1.0 H A:HIS50 3.1 61.6 1.0 ND1 A:HIS50 3.3 51.5 1.0 HA A:ASN49 3.6 73.8 1.0 HB3 A:HIS50 3.7 62.2 1.0 CE A:LYS37 4.0 49.5 1.0 N A:HIS50 4.0 49.8 1.0 CE1 A:HIS50 4.2 53.8 1.0 HE1 A:HIS50 4.2 66.3 1.0 HE3 A:LYS37 4.2 58.0 1.0 HD2 A:LYS37 4.2 53.1 1.0 CG A:HIS50 4.2 52.0 1.0 CB A:HIS50 4.4 50.4 1.0 OD1 A:ASN49 4.4 67.0 1.0 CA A:ASN49 4.5 60.0 1.0 HE2 A:LYS37 4.6 58.0 1.0 CD A:LYS37 4.6 47.1 1.0 O A:VAL48 4.7 54.1 1.0 HB3 A:ASN49 4.8 79.8 1.0 C A:ASN49 4.8 59.0 1.0 CA A:HIS50 4.8 49.3 1.0 HD3 A:LYS37 4.9 53.1 1.0 CB A:ASN49 5.0 65.0 1.0

Manganese binding site 2 out of 4 in the The Complex Structure of Hsrosr-Sg (VNG0258/Rosr-Sg)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of The Complex Structure of Hsrosr-Sg (VNG0258/Rosr-Sg) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn201 b:0.1 occ:1.00 HB2 C:GLU83 2.6 53.0 1.0 H C:GLU83 2.8 46.2 1.0 HB C:THR81 3.3 31.1 1.0 OE1 B:GLU93 3.4 44.2 1.0 CB C:GLU83 3.4 42.6 1.0 N C:GLU83 3.5 37.0 1.0 HB3 C:GLU83 3.5 53.0 1.0 HB2 C:ASN82 3.8 51.4 1.0 OE2 C:GLU83 3.8 45.6 1.0 OD1 A:ASP116 3.8 44.9 1.0 HB3 B:GLU93 4.0 47.8 1.0 O C:GLY64 4.0 35.7 1.0 CA C:GLU83 4.1 39.6 1.0 HG1 C:THR81 4.1 31.5 1.0 CB C:THR81 4.2 24.4 1.0 H C:ASN82 4.2 48.0 1.0 OG1 C:THR81 4.4 24.7 1.0 N C:ASN82 4.4 38.5 1.0 CD B:GLU93 4.4 42.2 1.0 HA C:GLU83 4.5 49.3 1.0 HB2 A:ASP115 4.5 40.6 1.0 HG23 A:ILE112 4.5 40.3 1.0 CB C:ASN82 4.5 41.3 1.0 C C:ASN82 4.5 38.6 1.0 CG C:GLU83 4.5 42.9 1.0 HG21 C:THR81 4.5 36.0 1.0 CD C:GLU83 4.6 45.0 1.0 HB3 C:ASN82 4.7 51.4 1.0 HG12 A:ILE112 4.7 42.0 1.0 CA C:ASN82 4.7 39.2 1.0 HG3 C:GLU83 4.8 53.3 1.0 CG2 C:THR81 4.9 28.5 1.0 CB B:GLU93 4.9 38.4 1.0 C C:THR81 4.9 21.2 1.0 CG A:ASP116 4.9 42.6 1.0

Manganese binding site 3 out of 4 in the The Complex Structure of Hsrosr-Sg (VNG0258/Rosr-Sg)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of The Complex Structure of Hsrosr-Sg (VNG0258/Rosr-Sg) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn202 b:0.7 occ:1.00 ND1 B:HIS50 3.0 57.4 1.0 H B:HIS50 3.1 67.9 1.0 HA B:ASN49 3.3 68.7 1.0 HE1 B:HIS50 3.4 72.8 1.0 CE1 B:HIS50 3.6 59.2 1.0 HE2 B:LYS37 3.7 68.6 1.0 OE1 B:GLU47 3.8 88.6 1.0 N B:HIS50 3.9 55.1 1.0 HE3 B:LYS37 4.0 68.6 1.0 OD1 B:ASN49 4.0 63.7 1.0 HZ3 B:LYS37 4.0 70.3 1.0 CG B:HIS50 4.1 55.0 1.0 CA B:ASN49 4.2 55.7 1.0 HB3 B:HIS50 4.2 64.8 1.0 CE B:LYS37 4.2 59.3 1.0 HB3 B:ASN49 4.6 71.5 1.0 C B:ASN49 4.6 53.2 1.0 NZ B:LYS37 4.6 59.3 1.0 CB B:HIS50 4.6 52.5 1.0 CB B:ASN49 4.8 58.6 1.0 H B:GLY51 4.8 66.4 1.0 CG B:ASN49 4.8 62.6 1.0 NE2 B:HIS50 4.8 58.3 1.0 CA B:HIS50 4.9 52.2 1.0 O B:VAL48 4.9 53.0 1.0

Manganese binding site 4 out of 4 in the The Complex Structure of Hsrosr-Sg (VNG0258/Rosr-Sg)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of The Complex Structure of Hsrosr-Sg (VNG0258/Rosr-Sg) within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn201 b:0.3 occ:1.00 H C:HIS50 3.0 61.1 1.0 ND1 C:HIS50 3.2 53.6 1.0 HE3 C:LYS37 3.3 66.3 1.0 HB3 C:HIS50 3.4 62.6 1.0 HE2 C:LYS37 3.7 66.3 1.0 HA C:ASN49 3.8 75.5 1.0 HZ3 C:LYS37 3.8 71.3 1.0 N C:HIS50 3.9 49.4 1.0 CE C:LYS37 3.9 54.8 1.0 CG C:HIS50 4.0 51.0 1.0 CB C:HIS50 4.1 50.7 1.0 CE1 C:HIS50 4.1 56.5 1.0 HE1 C:HIS50 4.3 68.6 1.0 NZ C:LYS37 4.3 57.9 1.0 O1 H:SO4101 4.5 0.6 1.0 O C:VAL48 4.5 64.7 1.0 CA C:HIS50 4.6 48.3 1.0 CA C:ASN49 4.6 61.4 1.0 C C:ASN49 4.8 55.1 1.0 HZ2 C:LYS37 4.8 71.3 1.0 O3 H:SO4101 4.9 0.7 1.0 HB2 C:HIS50 4.9 62.6 1.0 H C:GLY51 5.0 59.6 1.0

N.Kutnowski, F.Shmulevich, G.Davidov, A.Shahar, D.Bar-Zvi, J.Eichler, R.Zarivach, B.Shaanan. Specificity of Protein-Dna Interactions in Hypersaline Environment: Structural Studies on Complexes of Halobacterium Salinarum Oxidative Stress-Dependent Protein Hsrosr. Nucleic Acids Res. V. 47 8860 2019.
ISSN: ESSN 1362-4962
PubMed: 31310308
DOI: 10.1093/NAR/GKZ604