Manganese in PDB 6qh0: The Complex Structure of Hsrosr-S5 (VNG0258H/Rosr-S5)

The structure of The Complex Structure of Hsrosr-S5 (VNG0258H/Rosr-S5), PDB code: 6qh0 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)	44.57 / 2.44
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	46.545, 83.109, 89.601, 95.81, 95.50, 105.11
R / Rfree (%)	23.9 / 26.8

The binding sites of Manganese atom in the The Complex Structure of Hsrosr-S5 (VNG0258H/Rosr-S5) (pdb code 6qh0). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 5 binding sites of Manganese where determined in the The Complex Structure of Hsrosr-S5 (VNG0258H/Rosr-S5), PDB code: 6qh0:
Jump to Manganese binding site number: 1; 2; 3; 4; 5;

Manganese binding site 1 out of 5 in the The Complex Structure of Hsrosr-S5 (VNG0258H/Rosr-S5)


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-S5 (VNG0258H/Rosr-S5) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn206 b:68.0 occ:1.00 HE3 A:LYS37 2.4 35.0 1.0 H A:HIS50 2.8 34.3 1.0 HB3 A:HIS50 3.0 35.4 1.0 CE A:LYS37 3.2 27.5 1.0 HZ3 A:LYS37 3.3 39.2 1.0 HE2 A:LYS37 3.5 35.0 1.0 ND1 A:HIS50 3.5 29.3 1.0 NZ A:LYS37 3.6 31.1 1.0 N A:HIS50 3.7 27.0 1.0 HA A:ASN49 3.7 40.3 1.0 HZ1 A:LYS37 3.8 39.2 1.0 CB A:HIS50 3.9 27.9 1.0 O A:VAL48 4.1 34.9 1.0 CG A:HIS50 4.1 29.6 1.0 HD2 A:LYS37 4.3 32.0 1.0 CD A:LYS37 4.4 25.5 1.0 CA A:HIS50 4.4 27.9 1.0 HZ2 A:LYS37 4.5 39.2 1.0 CA A:ASN49 4.6 31.9 1.0 HB2 A:HIS50 4.6 35.4 1.0 CE1 A:HIS50 4.6 32.0 1.0 C A:ASN49 4.6 29.4 1.0 O G:HOH204 4.7 21.8 1.0 HD3 A:LYS37 4.7 32.0 1.0 HE1 A:HIS50 4.8 40.4 1.0 HA A:HIS50 4.9 35.4 1.0

Manganese binding site 2 out of 5 in the The Complex Structure of Hsrosr-S5 (VNG0258H/Rosr-S5)


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-S5 (VNG0258H/Rosr-S5) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn207 b:25.9 occ:0.46 HZ2 B:LYS37 2.3 61.4 1.0 HZ3 B:LYS37 2.6 61.4 1.0 HZ1 B:LYS37 2.7 61.4 1.0 NZ B:LYS37 2.7 49.6 1.0 H B:HIS50 2.8 51.0 1.0 ND1 B:HIS50 2.8 41.0 1.0 HB3 B:HIS50 3.0 51.5 1.0 N B:HIS50 3.6 40.9 1.0 CG B:HIS50 3.6 41.2 1.0 CB B:HIS50 3.7 41.3 1.0 HA B:ASN49 3.7 59.6 1.0 CE1 B:HIS50 3.8 41.8 1.0 HE1 B:HIS50 4.0 52.0 1.0 CE B:LYS37 4.1 47.4 1.0 HD2 B:LYS37 4.3 56.7 1.0 CA B:HIS50 4.3 39.4 1.0 OE2 B:GLU47 4.5 69.5 1.0 HE3 B:LYS37 4.5 58.8 1.0 HB2 B:HIS50 4.5 51.5 1.0 CA B:ASN49 4.6 48.0 1.0 O B:VAL48 4.6 54.4 1.0 C B:ASN49 4.6 46.6 1.0 HE2 B:LYS37 4.7 58.8 1.0 CD B:LYS37 4.8 45.6 1.0 CD2 B:HIS50 4.8 41.4 1.0 NE2 B:HIS50 4.8 42.2 1.0 HA B:HIS50 4.9 49.3 1.0 H B:GLY51 4.9 46.1 1.0 O4 H:SO4101 4.9 97.2 1.0 OD1 B:ASN49 5.0 51.9 1.0

Manganese binding site 3 out of 5 in the The Complex Structure of Hsrosr-S5 (VNG0258H/Rosr-S5)


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-S5 (VNG0258H/Rosr-S5) within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn204 b:81.0 occ:0.85 H C:HIS50 2.5 50.4 1.0 HA C:ASN49 2.9 71.3 1.0 ND1 C:HIS50 3.0 43.9 1.0 HZ2 C:LYS37 3.1 75.4 1.0 N C:HIS50 3.3 40.4 1.0 HB3 C:HIS50 3.4 50.0 1.0 HE3 C:LYS37 3.5 70.2 1.0 NZ C:LYS37 3.7 61.2 1.0 CA C:ASN49 3.8 57.8 1.0 CG C:HIS50 3.9 42.3 1.0 HZ3 C:LYS37 3.9 75.4 1.0 HB3 C:ASN49 3.9 74.9 1.0 CE1 C:HIS50 3.9 45.9 1.0 CE C:LYS37 4.0 56.9 1.0 CB C:HIS50 4.0 40.0 1.0 HE2 C:LYS37 4.0 70.2 1.0 HE1 C:HIS50 4.0 57.0 1.0 C C:ASN49 4.0 52.5 1.0 OD1 C:ASN49 4.2 69.1 1.0 CA C:HIS50 4.2 39.2 1.0 CB C:ASN49 4.3 60.8 1.0 HZ1 C:LYS37 4.5 75.4 1.0 H C:GLY51 4.5 50.9 1.0 CG C:ASN49 4.7 64.7 1.0 HA C:HIS50 4.9 49.0 1.0 HB2 C:HIS50 4.9 50.0 1.0 N C:ASN49 4.9 56.5 1.0 O C:VAL48 5.0 56.0 1.0

Manganese binding site 4 out of 5 in the The Complex Structure of Hsrosr-S5 (VNG0258H/Rosr-S5)


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-S5 (VNG0258H/Rosr-S5) within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn205 b:58.9 occ:0.72 HB3 B:GLU93 2.9 33.7 1.0 HB2 C:ASN82 3.0 44.1 1.0 H C:GLU83 3.0 44.2 1.0 HG1 C:THR81 3.0 59.3 1.0 HB2 C:GLU83 3.3 52.6 1.0 OG1 C:THR81 3.4 47.8 1.0 OD1 A:ASP116 3.5 37.2 1.0 HG2 B:GLU93 3.6 34.5 1.0 N C:GLU83 3.7 35.3 1.0 HG23 A:ILE112 3.8 30.8 1.0 H C:ASN82 3.8 39.2 1.0 CB B:GLU93 3.8 26.5 1.0 CB C:ASN82 3.8 35.2 1.0 HG23 C:THR81 4.0 49.1 1.0 CG B:GLU93 4.0 27.1 1.0 HB3 C:ASN82 4.0 44.1 1.0 CB C:GLU83 4.1 42.3 1.0 N C:ASN82 4.2 31.1 1.0 HB3 C:GLU83 4.3 52.6 1.0 CD B:GLU93 4.3 27.4 1.0 CA C:ASN82 4.4 33.0 1.0 O B:GLU93 4.4 27.0 1.0 OE1 B:GLU93 4.4 27.6 1.0 HA B:GLU93 4.4 33.5 1.0 C C:ASN82 4.4 34.5 1.0 HB2 B:GLU93 4.4 33.7 1.0 CA C:GLU83 4.4 35.5 1.0 HG21 C:THR81 4.4 49.1 1.0 CG2 C:THR81 4.5 39.3 1.0 HG12 A:ILE112 4.5 29.5 1.0 CB C:THR81 4.5 42.4 1.0 HB3 B:SER97 4.6 30.6 1.0 CA B:GLU93 4.6 26.3 1.0 CG A:ASP116 4.6 35.6 1.0 HG21 A:ILE112 4.6 30.8 1.0 CG2 A:ILE112 4.6 24.0 1.0 HA C:GLU83 4.7 44.6 1.0 C B:GLU93 4.7 27.1 1.0 OE1 C:GLU83 4.8 50.1 1.0 OD2 A:ASP116 4.9 36.0 1.0 OE2 B:GLU93 4.9 27.4 1.0 HG3 B:GLU93 5.0 34.5 1.0 HA A:ILE112 5.0 26.8 1.0 CG C:ASN82 5.0 37.1 1.0

Manganese binding site 5 out of 5 in the The Complex Structure of Hsrosr-S5 (VNG0258H/Rosr-S5)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of The Complex Structure of Hsrosr-S5 (VNG0258H/Rosr-S5) within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn206 b:19.8 occ:0.38 HZ1 D:LYS37 2.0 65.2 1.0 HZ3 D:LYS37 2.0 65.2 1.0 HZ2 D:LYS37 2.0 65.2 1.0 NZ D:LYS37 2.1 52.7 1.0 H D:HIS50 2.5 62.0 1.0 ND1 D:HIS50 2.9 55.1 1.0 HB3 D:HIS50 2.9 59.8 1.0 N D:HIS50 3.4 50.1 1.0 HA D:ASN49 3.5 70.3 1.0 CB D:HIS50 3.6 48.2 1.0 CE D:LYS37 3.6 49.3 1.0 CG D:HIS50 3.7 51.4 1.0 CE1 D:HIS50 4.0 56.8 1.0 HE2 D:LYS37 4.0 61.1 1.0 HE3 D:LYS37 4.0 61.1 1.0 CA D:HIS50 4.1 47.6 1.0 HD2 D:LYS37 4.2 57.2 1.0 HE1 D:HIS50 4.2 70.1 1.0 CA D:ASN49 4.3 57.0 1.0 O D:VAL48 4.3 59.1 1.0 C D:ASN49 4.3 52.3 1.0 HB2 D:HIS50 4.4 59.8 1.0 CD D:LYS37 4.5 46.1 1.0 H D:GLY51 4.7 63.2 1.0 HA D:HIS50 4.7 59.0 1.0 HD3 D:LYS37 4.8 57.2 1.0 CD2 D:HIS50 4.9 52.2 1.0 OE1 D:GLU47 4.9 82.3 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