Iron in PDB 5d8p: 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa

All present enzymatic activity of 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa:
1.16.3.1;

The structure of 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa, PDB code: 5d8p was solved by S.Lovell, K.P.Battaile, Y.Wang, H.Yao, M.Rivera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.02 / 2.35
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	131.296, 196.077, 202.509, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 22.7

The structure of 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa also contains other interesting chemical elements:

Potassium

(K)

3 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 70; Page 8, Binding sites: 71 - 80; Page 9, Binding sites: 81 - 84;

Binding sites:

The binding sites of Iron atom in the 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa (pdb code 5d8p). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 84 binding sites of Iron where determined in the 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa, PDB code: 5d8p:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 84 in the 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:82.3 occ:1.00 NE2 A:HIS10 2.7 43.4 1.0 ND1 A:HIS107 3.2 51.2 1.0 CD2 A:HIS10 3.4 35.0 1.0 CB A:HIS107 3.5 35.5 1.0 CG A:HIS107 3.5 50.1 1.0 CE1 A:HIS10 3.8 48.2 1.0 CE1 A:HIS107 4.1 59.2 1.0 CD2 A:HIS107 4.6 56.4 1.0 O A:GLU103 4.6 40.7 1.0 CG A:HIS10 4.7 42.3 1.0 CA A:HIS107 4.7 41.5 1.0 O A:HOH335 4.8 52.6 1.0 ND1 A:HIS10 4.8 44.8 1.0 CG A:LYS6 4.8 36.5 1.0 NE2 A:HIS107 4.9 57.6 1.0

Iron binding site 2 out of 84 in the 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe203 b:49.0 occ:1.00 OE1 A:GLU51 2.1 39.9 1.0 OE1 A:GLU18 2.2 39.5 1.0 ND1 A:HIS54 2.3 38.3 1.0 O A:ACT209 2.4 41.9 1.0 OE1 A:GLU127 2.4 65.8 1.0 OE2 A:GLU18 2.6 40.6 1.0 CD A:GLU18 2.7 41.7 1.0 OE2 A:GLU127 2.7 35.1 1.0 CD A:GLU127 2.9 48.7 1.0 CD A:GLU51 3.2 32.0 1.0 CE1 A:HIS54 3.2 41.9 1.0 CG A:HIS54 3.4 44.1 1.0 C A:ACT209 3.4 45.0 1.0 FE A:FE2204 3.6 47.4 1.0 OXT A:ACT209 3.7 48.8 1.0 CB A:HIS54 3.7 36.3 1.0 OE2 A:GLU51 3.8 42.7 1.0 CG A:GLU18 4.2 36.0 1.0 CA A:GLU51 4.4 44.1 1.0 CG A:GLU51 4.4 33.4 1.0 NE2 A:HIS54 4.4 42.3 1.0 CG2 A:ILE123 4.4 38.1 1.0 CG A:GLU127 4.4 48.4 1.0 CB A:GLU51 4.4 41.1 1.0 CD2 A:HIS54 4.5 28.9 1.0 CH3 A:ACT209 4.8 49.9 1.0 CB A:GLU18 4.8 36.3 1.0 CA A:GLU18 4.9 36.1 1.0

Iron binding site 3 out of 84 in the 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe204 b:47.4 occ:1.00 OXT A:ACT209 2.2 48.8 1.0 OE2 A:GLU51 2.2 42.7 1.0 OE2 A:GLU127 2.3 35.1 1.0 OE2 A:GLU94 2.3 39.6 1.0 OE1 A:GLU94 2.5 43.2 1.0 ND1 A:HIS130 2.5 45.3 1.0 CD A:GLU94 2.7 40.2 1.0 CD A:GLU51 3.1 32.0 1.0 CE1 A:HIS130 3.2 50.0 1.0 C A:ACT209 3.2 45.0 1.0 OE1 A:GLU51 3.2 39.9 1.0 CD A:GLU127 3.3 48.7 1.0 O A:ACT209 3.5 41.9 1.0 CG A:HIS130 3.6 44.1 1.0 FE A:FE2203 3.6 49.0 1.0 OE1 A:GLU127 3.9 65.8 1.0 CB A:HIS130 4.0 37.6 1.0 CG A:GLU94 4.2 41.4 1.0 CA A:GLU127 4.2 36.1 1.0 CB A:GLU127 4.3 42.0 1.0 OH A:TYR25 4.3 46.1 1.0 CG A:GLU127 4.3 48.4 1.0 NE2 A:HIS130 4.4 51.6 1.0 CE2 A:TYR25 4.5 34.6 1.0 CG A:GLU51 4.5 33.4 1.0 CH3 A:ACT209 4.5 49.9 1.0 CD2 A:HIS130 4.6 51.6 1.0 CE1 A:HIS54 4.9 41.9 1.0 CZ A:TYR25 4.9 40.6 1.0 ND1 A:HIS54 5.0 38.3 1.0

Iron binding site 4 out of 84 in the 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe205 b:50.5 occ:1.00 O A:HOH323 2.3 42.4 1.0 NE2 E:HIS155 2.3 36.6 1.0 O A:HOH331 2.4 55.7 1.0 NE2 A:HIS153 2.4 31.9 1.0 O A:HOH320 2.4 44.1 1.0 O E:HOH344 2.5 39.5 1.0 CE1 E:HIS155 3.2 39.2 1.0 CE1 A:HIS153 3.3 37.2 1.0 CD2 E:HIS155 3.4 45.3 1.0 CD2 A:HIS153 3.4 34.0 1.0 NE2 A:GLN137 4.0 29.6 1.0 O E:HOH312 4.2 31.7 1.0 ND1 E:HIS155 4.4 48.6 1.0 ND1 A:HIS153 4.4 40.3 1.0 CG E:HIS155 4.5 43.6 1.0 CG A:HIS153 4.5 34.0 1.0 NE A:ARG39 4.6 67.7 1.0 NH2 A:ARG39 4.8 53.1 1.0

Iron binding site 5 out of 84 in the 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe206 b:54.5 occ:1.00 NE2 A:HIS155 2.3 47.5 1.0 NE2 J:HIS153 2.3 35.0 1.0 O A:HOH312 2.3 42.1 1.0 O J:HOH322 2.4 33.7 1.0 O J:HOH340 2.8 43.3 1.0 CE1 A:HIS155 3.0 52.8 1.0 CD2 J:HIS153 3.2 38.4 1.0 CE1 J:HIS153 3.3 33.1 1.0 CD2 A:HIS155 3.4 56.7 1.0 NE2 J:GLN137 4.1 35.6 1.0 ND1 A:HIS155 4.2 52.6 1.0 ND1 J:HIS153 4.4 31.5 1.0 CG J:HIS153 4.4 29.1 1.0 NE J:ARG39 4.4 60.4 1.0 CG A:HIS155 4.4 52.5 1.0 CD J:GLN137 4.9 37.3 1.0 NH2 J:ARG39 4.9 46.6 1.0

Iron binding site 6 out of 84 in the 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe207 b:80.5 occ:1.00 O A:HOH326 2.4 49.8 1.0 O J:HOH341 3.0 48.2 1.0 OD1 A:ASP34 3.4 48.2 1.0 OD2 A:ASP34 3.5 49.6 1.0 OD1 J:ASP132 3.8 41.9 1.0 CG A:ASP34 3.8 43.8 1.0 OE1 J:GLU135 3.9 47.4 1.0 O A:ASP34 4.3 49.7 1.0 OG1 J:THR136 4.5 34.5 1.0 CB J:GLU135 4.7 36.2 1.0 CD J:GLU135 4.9 51.6 1.0 CG J:ASP132 4.9 40.8 1.0

Iron binding site 7 out of 84 in the 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe208 b:43.4 occ:1.00 FE A:HEM208 0.0 43.4 1.0 ND A:HEM208 2.0 44.2 1.0 NC A:HEM208 2.1 43.0 1.0 NA A:HEM208 2.1 35.5 1.0 NB A:HEM208 2.1 39.9 1.0 SD A:MET52 2.5 33.6 1.0 C4D A:HEM208 3.0 41.5 1.0 C1D A:HEM208 3.1 36.4 1.0 C4B A:HEM208 3.1 34.7 1.0 C1C A:HEM208 3.1 39.9 1.0 C4C A:HEM208 3.1 44.0 1.0 C1A A:HEM208 3.1 35.4 1.0 C4A A:HEM208 3.1 35.7 1.0 C1B A:HEM208 3.2 37.5 1.0 CE A:MET52 3.3 39.9 1.0 CHC A:HEM208 3.4 38.6 1.0 CHA A:HEM208 3.4 30.3 1.0 CHD A:HEM208 3.4 46.0 1.0 CG A:MET52 3.5 40.2 1.0 CHB A:HEM208 3.5 38.7 1.0 CB A:MET52 4.2 37.5 1.0 C3D A:HEM208 4.3 49.9 1.0 C2D A:HEM208 4.3 47.0 1.0 C3B A:HEM208 4.3 40.9 1.0 C2C A:HEM208 4.3 44.4 1.0 C3C A:HEM208 4.3 43.0 1.0 C3A A:HEM208 4.3 33.8 1.0 C2A A:HEM208 4.3 42.1 1.0 C2B A:HEM208 4.4 39.2 1.0

Iron binding site 8 out of 84 in the 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:89.3 occ:1.00 NE2 B:HIS10 2.8 40.6 1.0 ND1 B:HIS107 3.2 67.2 1.0 CG B:HIS107 3.5 49.5 1.0 CB B:HIS107 3.7 36.7 1.0 CE1 B:HIS10 3.7 45.5 1.0 CD2 B:HIS10 3.7 35.0 1.0 CE1 B:HIS107 4.0 67.1 1.0 O B:HOH333 4.0 50.6 1.0 CD2 B:HIS107 4.4 52.4 1.0 O B:GLU103 4.6 46.0 1.0 NE2 B:HIS107 4.6 59.1 1.0 ND1 B:HIS10 4.8 39.6 1.0 CA B:HIS107 4.9 35.9 1.0 CG B:LYS6 4.9 48.6 1.0 CG B:HIS10 4.9 41.8 1.0

Iron binding site 9 out of 84 in the 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe203 b:45.3 occ:1.00 OE1 B:GLU127 2.1 45.3 1.0 OXT B:ACT209 2.2 45.9 1.0 OE1 B:GLU51 2.2 44.4 1.0 ND1 B:HIS54 2.3 40.2 1.0 OE1 B:GLU18 2.4 37.9 1.0 OE2 B:GLU18 2.4 36.5 1.0 CD B:GLU18 2.7 40.5 1.0 CD B:GLU127 3.0 42.8 1.0 CD B:GLU51 3.1 36.0 1.0 OE2 B:GLU127 3.1 43.1 1.0 CE1 B:HIS54 3.2 33.0 1.0 C B:ACT209 3.2 38.9 1.0 O B:ACT209 3.4 43.2 1.0 CG B:HIS54 3.4 41.5 1.0 OE2 B:GLU51 3.5 39.3 1.0 FE B:FE2204 3.6 45.2 1.0 CB B:HIS54 3.8 32.2 1.0 CA B:GLU51 4.2 37.4 1.0 CG B:GLU18 4.2 37.4 1.0 CG B:GLU51 4.3 40.9 1.0 NE2 B:HIS54 4.3 40.5 1.0 CG B:GLU127 4.4 35.5 1.0 CG2 B:ILE123 4.4 36.7 1.0 CB B:GLU51 4.4 32.2 1.0 CD2 B:HIS54 4.5 32.4 1.0 CH3 B:ACT209 4.5 42.9 1.0 CE1 B:HIS130 4.9 38.1 1.0 N B:GLU51 5.0 35.4 1.0

Iron binding site 10 out of 84 in the 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of 2.35A Resolution Structure of Iron Bound Bfrb (Wild-Type, C2221 Form) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe204 b:45.2 occ:1.00 OE2 B:GLU51 2.2 39.3 1.0 OE2 B:GLU94 2.2 35.3 1.0 O B:ACT209 2.2 43.2 1.0 OE2 B:GLU127 2.2 43.1 1.0 ND1 B:HIS130 2.4 36.0 1.0 OE1 B:GLU94 2.5 41.6 1.0 CD B:GLU94 2.7 32.3 1.0 CE1 B:HIS130 3.1 38.1 1.0 CD B:GLU127 3.1 42.8 1.0 CD B:GLU51 3.1 36.0 1.0 C B:ACT209 3.3 38.9 1.0 OE1 B:GLU51 3.3 44.4 1.0 OXT B:ACT209 3.5 45.9 1.0 OE1 B:GLU127 3.5 45.3 1.0 CG B:HIS130 3.6 34.8 1.0 FE B:FE2203 3.6 45.3 1.0 CB B:HIS130 4.1 31.5 1.0 CG B:GLU94 4.2 33.9 1.0 CG B:GLU127 4.2 35.5 1.0 NE2 B:HIS130 4.3 43.0 1.0 CA B:GLU127 4.3 33.3 1.0 OH B:TYR25 4.3 46.0 1.0 CE2 B:TYR25 4.4 32.5 1.0 CB B:GLU127 4.4 33.5 1.0 CG B:GLU51 4.5 40.9 1.0 CD2 B:HIS130 4.6 42.1 1.0 CH3 B:ACT209 4.6 42.9 1.0 CZ B:TYR25 4.9 44.9 1.0

Y.Wang, H.Yao, Y.Cheng, S.Lovell, K.P.Battaile, C.R.Midaugh, M.Rivera. Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots. Biochemistry V. 54 6162 2015.
ISSN: ISSN 0006-2960
PubMed: 26368531
DOI: 10.1021/ACS.BIOCHEM.5B00937