Manganese in PDB 6ru4: Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+

The structure of Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+, PDB code: 6ru4 was solved by S.Morera, A.Vigouroux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.57 / 2.49
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.010, 178.290, 66.820, 90.00, 90.61, 90.00
R / Rfree (%)	19.6 / 23.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 28;

Binding sites:

The binding sites of Manganese atom in the Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+ (pdb code 6ru4). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 28 binding sites of Manganese where determined in the Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+, PDB code: 6ru4:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Manganese binding site 1 out of 28 in the Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:43.0 occ:1.00 NE2 A:HIS235 2.2 45.0 1.0 NE2 A:HIS286 2.2 45.0 1.0 NE2 A:HIS147 2.3 40.2 1.0 NE2 A:HIS213 2.3 44.9 1.0 NE2 A:HIS102 2.4 43.2 1.0 NE2 A:HIS77 2.5 45.1 1.0 CE1 A:HIS235 3.2 45.3 1.0 CD2 A:HIS286 3.2 45.9 1.0 CD2 A:HIS235 3.2 45.5 1.0 CE1 A:HIS147 3.2 39.9 1.0 CE1 A:HIS213 3.2 45.6 1.0 CE1 A:HIS286 3.2 44.1 1.0 CD2 A:HIS147 3.3 39.6 1.0 CE1 A:HIS77 3.3 45.1 1.0 CD2 A:HIS213 3.3 45.1 1.0 CE1 A:HIS102 3.3 43.2 1.0 CD2 A:HIS102 3.4 43.6 1.0 CD2 A:HIS77 3.6 46.4 1.0 ND1 A:HIS235 4.3 46.6 1.0 CG A:HIS235 4.4 45.4 1.0 CG A:HIS286 4.4 44.7 1.0 ND1 A:HIS286 4.4 45.3 1.0 CG A:HIS147 4.4 38.1 1.0 ND1 A:HIS147 4.4 39.9 1.0 ND1 A:HIS213 4.4 46.8 1.0 CG A:HIS213 4.4 44.6 1.0 ND1 A:HIS102 4.5 44.0 1.0 CG A:HIS102 4.5 43.0 1.0 ND1 A:HIS77 4.5 46.6 1.0 CG A:HIS77 4.7 45.6 1.0 CB A:ALA215 4.8 44.9 1.0

Manganese binding site 2 out of 28 in the Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:0.4 occ:1.00 OD1 A:ASP170 3.6 63.5 1.0 CG A:ASP170 3.8 63.6 1.0 OD2 A:ASP170 4.1 71.5 1.0 N A:LEU43 4.2 54.1 1.0 CB A:LYS41 4.4 76.3 1.0 CG A:LEU43 4.4 53.9 1.0 CB A:ASP170 4.6 59.1 1.0 CA A:LEU43 4.6 51.9 1.0 C A:ARG42 4.6 61.4 1.0 CB A:LEU43 4.7 51.3 1.0 CA A:LYS41 4.8 72.2 1.0 O A:HOH549 4.9 48.3 1.0 CA A:ASP170 4.9 58.8 1.0 CA A:ARG42 5.0 62.5 1.0

Manganese binding site 3 out of 28 in the Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn403 b:98.9 occ:1.00 NH1 A:ARG187 3.4 65.5 1.0 O A:ASN58 3.6 53.0 1.0 OD1 A:ASN58 3.7 63.6 1.0 O A:ASN180 3.7 57.4 1.0 NH2 A:ARG187 4.1 59.8 1.0 CB A:ASN58 4.2 42.2 1.0 CZ A:ARG187 4.2 76.3 1.0 CB A:TYR184 4.2 50.4 1.0 N A:TYR184 4.3 55.5 1.0 CG A:ASN58 4.4 56.4 1.0 CA A:TYR184 4.4 52.3 1.0 C A:ASN58 4.4 51.1 1.0 CA A:ASN58 4.5 47.0 1.0 CB A:ALA183 4.6 63.1 1.0 C A:ASN180 4.6 57.5 1.0 C A:ALA183 4.7 62.8 1.0 CA A:ASN180 4.7 55.4 1.0 CB A:ASN180 4.7 53.2 1.0 CD1 A:TYR184 4.7 51.2 1.0 CG A:TYR184 4.9 49.4 1.0 OD1 A:ASN180 5.0 56.3 1.0

Manganese binding site 4 out of 28 in the Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn404 b:83.7 occ:1.00 CG2 A:VAL270 3.1 60.0 1.0 N A:SER267 3.3 62.0 1.0 N A:GLU262 3.3 44.3 1.0 CB A:SER261 3.7 50.0 1.0 CG2 A:ILE212 3.7 48.9 1.0 CB A:SER267 3.8 66.1 1.0 CG1 A:ILE212 3.8 49.2 1.0 CB A:GLU262 3.8 43.1 1.0 CB A:ILE212 4.0 49.3 1.0 CA A:PRO266 4.1 56.2 1.0 CA A:GLU262 4.1 42.9 1.0 CA A:SER267 4.1 63.1 1.0 CA A:SER261 4.1 45.4 1.0 C A:PRO266 4.2 63.4 1.0 C A:SER261 4.2 48.6 1.0 OG A:SER267 4.2 73.1 1.0 CG A:GLU262 4.3 50.9 1.0 O A:GLU262 4.4 51.6 1.0 CB A:VAL270 4.4 61.0 1.0 CB A:PRO266 4.5 58.2 1.0 O A:SER267 4.6 67.5 1.0 OG A:SER261 4.6 59.5 1.0 CG1 A:VAL270 4.7 60.2 1.0 C A:GLU262 4.8 49.3 1.0 C A:SER267 4.8 68.3 1.0 CD1 A:ILE212 4.8 50.1 1.0

Manganese binding site 5 out of 28 in the Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn405 b:0.4 occ:1.00 O A:PRO239 3.0 64.7 1.0 OE2 A:GLU238 3.6 0.8 1.0 C A:PRO239 4.1 63.5 1.0 CD A:GLU238 4.3 0.6 1.0 CG A:GLU238 4.3 81.7 1.0 N A:PRO241 4.4 58.2 1.0 C A:SER240 4.4 59.4 1.0 CD2 A:TYR269 4.5 57.6 1.0 CD A:PRO241 4.7 61.4 1.0 CB A:TYR269 4.7 57.5 1.0 CA A:SER240 4.7 57.0 1.0 O A:SER240 4.7 56.8 1.0 CG A:TYR269 4.8 56.5 1.0 CA A:PRO241 4.8 58.5 1.0 CD2 A:LEU244 4.8 57.5 1.0 N A:SER240 4.9 57.2 1.0 CG A:PRO241 4.9 67.3 1.0

Manganese binding site 6 out of 28 in the Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn406 b:0.4 occ:1.00 O A:VAL120 2.9 54.1 1.0 OE1 A:GLU165 3.5 97.4 1.0 C A:VAL120 3.7 53.3 1.0 CG1 A:ILE121 4.0 46.1 1.0 N A:VAL120 4.2 53.4 1.0 N A:ILE121 4.3 46.6 1.0 CA A:ILE121 4.4 45.7 1.0 CD A:GLU165 4.5 88.1 1.0 CA A:VAL120 4.6 51.1 1.0 CB A:PRO119 4.7 54.0 1.0 C A:PRO119 4.7 56.7 1.0 CB A:GLU165 4.8 49.5 1.0 O A:HOH530 4.8 47.5 1.0 CG A:GLU165 4.8 63.5 1.0 CB A:ILE121 4.8 47.0 1.0 CA A:PRO119 5.0 52.8 1.0

Manganese binding site 7 out of 28 in the Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn407 b:0.7 occ:1.00 O A:GLY214 3.6 48.7 1.0 O A:GLY134 4.0 0.8 1.0 O A:ALA132 4.1 91.9 1.0 CB A:HIS235 4.1 43.2 1.0 CA A:GLY214 4.2 43.8 1.0 C A:GLY214 4.2 48.1 1.0 OD1 A:ASN145 4.4 47.2 1.0 O A:HOH506 4.4 31.1 1.0 CG A:HIS235 4.4 45.4 1.0 CE1 A:HIS147 4.5 39.9 1.0 CD2 A:HIS235 4.5 45.5 1.0 CG A:ASN145 4.5 57.9 1.0 CA A:HIS235 4.6 43.2 1.0 CD A:PRO146 4.6 45.3 1.0 ND1 A:HIS147 4.7 39.9 1.0 CG2 A:THR133 4.7 97.5 1.0 N A:HIS235 4.7 43.7 1.0 ND2 A:ASN145 4.8 47.1 1.0 CA A:ASN145 4.8 48.8 1.0 N A:GLY214 4.9 44.4 1.0

Manganese binding site 8 out of 28 in the Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn408 b:0.4 occ:1.00 O A:LEU225 3.7 51.8 1.0 O A:GLY224 3.8 50.6 1.0 C A:GLY224 3.8 51.6 1.0 C A:LEU225 3.9 52.0 1.0 CG A:ARG221 4.1 61.5 1.0 N A:LEU225 4.1 47.8 1.0 CA A:GLY224 4.3 50.3 1.0 N A:GLU226 4.4 49.4 1.0 CA A:LEU225 4.4 46.4 1.0 OE2 A:GLU226 4.6 97.5 1.0 CB A:GLU226 4.6 49.5 1.0 NE A:ARG221 4.6 95.6 1.0 CG A:GLU226 4.7 68.3 1.0 CA A:GLU226 4.7 47.9 1.0 CA A:ARG221 4.8 49.3 1.0 CD A:ARG221 4.9 78.3 1.0 CD A:GLU226 4.9 94.7 1.0 CB A:ARG221 5.0 50.5 1.0

Manganese binding site 9 out of 28 in the Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 9 of Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn409 b:0.9 occ:1.00 CA A:SER293 3.8 56.7 1.0 CB A:SER293 3.9 58.4 1.0 O A:TYR292 4.1 58.6 1.0 N A:ALA294 4.2 60.6 1.0 C4 A:PEG414 4.2 82.2 1.0 C3 A:PEG414 4.2 82.3 1.0 C A:SER293 4.6 62.4 1.0 OH A:TYR53 4.6 65.0 1.0 CE2 A:TYR53 4.7 50.3 1.0 N A:SER293 4.8 55.6 1.0 C A:TYR292 4.9 57.6 1.0

Manganese binding site 10 out of 28 in the Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 10 of Structure of the Sbp Fpvc From Pseudomonas Aeruginosa in Complex with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn410 b:0.7 occ:1.00 N A:VAL227 3.1 46.2 1.0 O C:HOH553 3.2 59.0 1.0 OD2 A:ASP217 3.4 66.4 1.0 CA A:GLU226 3.4 47.9 1.0 O A:ASP217 3.6 54.3 1.0 CA A:ASP217 3.7 45.7 1.0 C A:GLU226 3.7 50.4 1.0 CG A:GLU226 3.8 68.3 1.0 CG2 A:VAL227 3.8 45.3 1.0 CB A:ASP217 3.8 48.0 1.0 O A:LEU225 3.9 51.8 1.0 CG A:ASP217 4.0 62.8 1.0 CB A:VAL227 4.0 45.9 1.0 CA A:VAL227 4.1 44.2 1.0 C A:ASP217 4.1 51.3 1.0 CB A:GLU226 4.2 49.5 1.0 NZ C:LYS201 4.4 97.0 1.0 N A:GLU226 4.4 49.4 1.0 CE C:LYS201 4.5 81.9 1.0 C A:LEU225 4.6 52.0 1.0 O A:VAL227 4.8 48.1 1.0 CB A:LEU220 4.9 48.0 1.0 O A:GLU226 4.9 49.9 1.0 N A:ASP217 5.0 45.3 1.0 C A:VAL227 5.0 48.6 1.0

A.Vigouroux, M.Aumont-Nicaise, A.Boussac, L.Marty, L.Lo Bello, P.Legrand, K.Brillet, I.J.Schalk, S.Morera. A Unique Ferrous Iron Binding Mode Is Associated with Large Conformational Changes For the Transport Protein Fpvc of Pseudomonas Aeruginosa. Febs J. 2019.
ISSN: ISSN 1742-464X
PubMed: 31318478
DOI: 10.1111/FEBS.15004