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Iron in PDB 3is8: Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution

Protein crystallography data

The structure of Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution, PDB code: 3is8 was solved by S.Lovell, S.K.Weeratunga, K.P.Battaile, M.Rivera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 125.723, 203.278, 207.724, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 22.6

Other elements in 3is8:

The structure of Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution also contains other interesting chemical elements:

Potassium (K) 6 atoms

Iron Binding Sites:

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 - 90; Page 10, Binding sites: 91 - 100; Page 11, Binding sites: 101 - 108;

Binding sites:

The binding sites of Iron atom in the Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution (pdb code 3is8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 108 binding sites of Iron where determined in the Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution, PDB code: 3is8:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 108 in 3is8

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Iron binding site 1 out of 108 in the Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe159

b:25.8
occ:1.00
O A:HOH361 2.0 19.8 1.0
O X:HOH1424 2.1 22.8 1.0
O A:HOH1438 2.1 22.9 1.0
NE2 X:HIS155 2.2 20.2 1.0
NE2 A:HIS153 2.2 21.5 1.0
O A:HOH169 2.2 17.8 1.0
CE1 X:HIS155 3.0 22.0 1.0
CE1 A:HIS153 3.1 24.5 1.0
CD2 X:HIS155 3.2 21.7 1.0
CD2 A:HIS153 3.2 22.6 1.0
O A:HOH1439 3.7 28.6 1.0
NE2 A:GLN137 4.1 19.7 1.0
ND1 X:HIS155 4.2 19.9 1.0
ND1 A:HIS153 4.2 24.0 1.0
O A:HOH704 4.2 32.0 1.0
CG X:HIS155 4.3 25.0 1.0
CG A:HIS153 4.3 23.5 1.0
O X:HOH661 4.3 24.1 1.0
NE A:ARG39 4.4 33.9 1.0
O A:HOH841 4.9 27.8 1.0
NH2 A:ARG39 4.9 34.4 1.0
CD A:GLN137 5.0 23.5 1.0

Iron binding site 2 out of 108 in 3is8

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Iron binding site 2 out of 108 in the Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe160

b:24.5
occ:1.00
O L:HOH1080 1.7 28.2 1.0
O L:HOH987 2.0 21.9 1.0
O A:HOH733 2.1 34.1 1.0
NE2 A:HIS155 2.2 20.1 1.0
O L:HOH1446 2.2 23.2 1.0
NE2 L:HIS153 2.3 26.8 1.0
CE1 A:HIS155 3.1 21.0 1.0
CD2 A:HIS155 3.1 19.4 1.0
CD2 L:HIS153 3.2 24.8 1.0
CE1 L:HIS153 3.3 23.6 1.0
O L:HOH1447 3.6 33.3 1.0
O L:HOH1015 4.1 31.6 1.0
ND1 A:HIS155 4.2 22.6 1.0
CG A:HIS155 4.3 24.2 1.0
NE2 L:GLN137 4.3 17.9 1.0
O A:HOH342 4.3 24.4 1.0
CG L:HIS153 4.3 24.8 1.0
ND1 L:HIS153 4.3 22.3 1.0
O L:HOH1037 4.4 30.5 1.0
NE L:ARG39 4.6 38.9 1.0
CE A:MET154 4.8 30.7 1.0
O L:HOH165 4.9 23.7 1.0

Iron binding site 3 out of 108 in 3is8

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Iron binding site 3 out of 108 in the Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe161

b:24.4
occ:1.00
OE1 A:GLU51 1.9 30.3 1.0
OE2 A:GLU127 1.9 22.8 1.0
OE1 A:GLU18 2.1 23.3 1.0
OE2 A:GLU18 2.2 19.6 1.0
ND1 A:HIS54 2.3 19.2 1.0
CD A:GLU18 2.5 19.4 1.0
CD A:GLU51 2.9 26.1 1.0
CD A:GLU127 3.0 23.8 1.0
O A:HOH1459 3.1 27.8 1.0
CE1 A:HIS54 3.2 20.5 1.0
CG A:HIS54 3.3 20.2 1.0
OE1 A:GLU127 3.3 26.6 1.0
OE2 A:GLU51 3.4 28.5 1.0
CB A:HIS54 3.6 18.3 1.0
O A:HOH167 3.7 26.8 1.0
CG A:GLU18 4.0 17.7 1.0
FE A:FE2163 4.1 37.8 1.0
CG A:GLU51 4.1 22.7 1.0
CA A:GLU51 4.2 21.6 1.0
CG2 A:ILE123 4.2 18.5 1.0
CB A:GLU51 4.2 21.8 1.0
CG A:GLU127 4.3 20.4 1.0
NE2 A:HIS54 4.4 18.2 1.0
CD2 A:HIS54 4.4 17.9 1.0
CB A:GLU18 4.8 19.8 1.0
O A:ASP50 5.0 21.2 1.0
O A:GLU51 5.0 21.3 1.0

Iron binding site 4 out of 108 in 3is8

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Iron binding site 4 out of 108 in the Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe162

b:26.7
occ:1.00
O A:HOH340 1.9 20.9 1.0
O A:HOH483 2.0 22.6 1.0
O A:HOH641 2.1 28.3 1.0
ND1 A:HIS107 2.1 24.8 1.0
O A:HOH618 2.2 28.1 1.0
NE2 A:HIS10 2.4 21.8 1.0
CE1 A:HIS107 3.0 27.4 1.0
CG A:HIS107 3.2 26.0 1.0
CD2 A:HIS10 3.3 23.0 1.0
CE1 A:HIS10 3.4 22.4 1.0
CB A:HIS107 3.6 24.1 1.0
NE2 A:HIS107 4.1 29.0 1.0
CD2 A:HIS107 4.2 25.7 1.0
O A:HOH592 4.3 24.1 1.0
O A:GLU103 4.4 24.7 1.0
CG A:HIS10 4.5 23.8 1.0
ND1 A:HIS10 4.5 24.7 1.0
CA A:HIS107 4.7 24.1 1.0

Iron binding site 5 out of 108 in 3is8

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Iron binding site 5 out of 108 in the Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe163

b:37.8
occ:1.00
OE1 A:GLU127 1.8 26.6 1.0
OE2 A:GLU51 2.1 28.5 1.0
ND1 A:HIS130 2.2 20.9 0.7
OE2 A:GLU94 2.2 30.0 1.0
O A:HOH167 2.3 26.8 1.0
OE1 A:GLU94 2.7 30.0 1.0
CD A:GLU94 2.7 30.2 1.0
ND1 A:HIS130 2.8 13.4 0.3
CD A:GLU127 2.9 23.8 1.0
CE1 A:HIS130 3.0 21.4 0.7
CD A:GLU51 3.1 26.1 1.0
CG A:HIS130 3.2 21.0 0.7
OE2 A:GLU127 3.6 22.8 1.0
OE1 A:GLU51 3.6 30.3 1.0
CB A:HIS130 3.6 20.8 0.7
CG A:HIS130 3.7 16.5 0.3
CB A:HIS130 3.7 19.7 0.3
CE1 A:HIS130 3.9 10.1 0.3
CG A:GLU127 4.1 20.4 1.0
FE A:FE2161 4.1 24.4 1.0
CA A:GLU127 4.1 20.6 1.0
CB A:GLU127 4.1 20.2 1.0
O A:HOH1460 4.1 29.7 1.0
NE2 A:HIS130 4.2 22.4 0.7
CG A:GLU94 4.2 27.5 1.0
CD2 A:HIS130 4.3 21.1 0.7
O A:HOH1459 4.4 27.8 1.0
OH A:TYR25 4.4 22.6 1.0
CG A:GLU51 4.4 22.7 1.0
CE2 A:TYR25 4.5 22.3 1.0
CD2 A:HIS130 4.9 11.1 0.3
N A:GLU127 4.9 20.4 1.0
CZ A:TYR25 4.9 21.9 1.0
O A:GLU127 4.9 20.6 1.0
NE2 A:HIS130 5.0 6.8 0.3

Iron binding site 6 out of 108 in 3is8

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Iron binding site 6 out of 108 in the Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe165

b:22.4
occ:1.00
FE A:HEM165 0.0 22.4 1.0
NC A:HEM165 2.0 25.6 1.0
ND A:HEM165 2.0 25.2 1.0
NB A:HEM165 2.1 26.3 1.0
NA A:HEM165 2.1 26.3 1.0
SD B:MET52 2.3 19.8 1.0
SD A:MET52 2.4 17.9 1.0
C4B A:HEM165 3.0 26.4 1.0
C1A A:HEM165 3.0 27.9 1.0
C1C A:HEM165 3.0 24.4 1.0
C4D A:HEM165 3.0 27.1 1.0
C4C A:HEM165 3.0 26.3 1.0
C1D A:HEM165 3.1 26.6 1.0
C4A A:HEM165 3.2 27.7 1.0
C1B A:HEM165 3.2 27.9 1.0
CE B:MET52 3.3 20.2 1.0
CE A:MET52 3.3 14.1 1.0
CHA A:HEM165 3.3 26.9 1.0
CHC A:HEM165 3.3 24.2 1.0
CHD A:HEM165 3.4 25.9 1.0
CHB A:HEM165 3.6 26.1 1.0
CG B:MET52 3.6 20.4 1.0
CG A:MET52 3.8 20.4 1.0
CB B:MET52 4.2 18.9 1.0
C3B A:HEM165 4.2 30.2 1.0
C2C A:HEM165 4.2 26.0 1.0
C3C A:HEM165 4.2 26.1 1.0
C2A A:HEM165 4.3 30.7 1.0
C3D A:HEM165 4.3 27.7 1.0
C2D A:HEM165 4.3 27.2 1.0
C3A A:HEM165 4.3 29.6 1.0
C2B A:HEM165 4.3 26.9 1.0
CB A:MET52 4.4 21.7 1.0

Iron binding site 7 out of 108 in 3is8

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Iron binding site 7 out of 108 in the Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe159

b:25.5
occ:1.00
O B:HOH1326 1.8 31.5 1.0
O D:HOH1376 2.0 23.4 1.0
O B:HOH548 2.2 23.6 1.0
NE2 B:HIS153 2.2 13.9 1.0
NE2 D:HIS155 2.2 25.5 1.0
O D:HOH372 2.4 28.3 1.0
CD2 B:HIS153 3.2 18.5 1.0
CE1 D:HIS155 3.2 22.0 1.0
CD2 D:HIS155 3.2 22.2 1.0
CE1 B:HIS153 3.2 21.0 1.0
O B:HOH1441 3.6 39.3 1.0
NE2 B:GLN137 4.0 14.8 1.0
O B:HOH1140 4.2 35.2 1.0
O D:HOH181 4.3 20.5 1.0
ND1 D:HIS155 4.3 20.6 1.0
ND1 B:HIS153 4.3 21.7 1.0
CG B:HIS153 4.3 19.5 1.0
CG D:HIS155 4.3 24.4 1.0
NE B:ARG39 4.5 30.4 1.0

Iron binding site 8 out of 108 in 3is8

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Iron binding site 8 out of 108 in the Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe160

b:25.9
occ:1.00
O B:HOH1462 2.0 19.0 1.0
O H:HOH857 2.1 22.4 1.0
NE2 B:HIS155 2.1 22.8 1.0
NE2 H:HIS153 2.2 14.5 1.0
O B:HOH643 2.2 24.3 1.0
O H:HOH166 2.3 18.4 1.0
CE1 B:HIS155 3.0 22.6 1.0
CD2 B:HIS155 3.2 23.1 1.0
CD2 H:HIS153 3.2 18.1 1.0
CE1 H:HIS153 3.2 20.2 1.0
O H:HOH1463 3.8 28.9 1.0
ND1 B:HIS155 4.1 21.1 1.0
O H:HOH630 4.2 26.3 1.0
NE2 H:GLN137 4.2 13.4 1.0
CG B:HIS155 4.2 26.5 1.0
ND1 H:HIS153 4.3 18.5 1.0
CG H:HIS153 4.4 20.6 1.0
CE B:MET154 4.5 29.8 1.0
NE H:ARG39 4.7 37.8 1.0

Iron binding site 9 out of 108 in 3is8

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Iron binding site 9 out of 108 in the Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe161

b:25.8
occ:1.00
OE2 B:GLU127 1.9 19.6 1.0
OE1 B:GLU51 1.9 27.5 1.0
OE1 B:GLU18 2.2 26.9 1.0
ND1 B:HIS54 2.2 21.1 1.0
OE2 B:GLU18 2.3 22.6 1.0
CD B:GLU18 2.6 22.5 1.0
CD B:GLU127 3.0 19.9 1.0
CE1 B:HIS54 3.1 20.5 1.0
CD B:GLU51 3.1 22.3 1.0
CG B:HIS54 3.2 21.8 1.0
OE1 B:GLU127 3.4 24.0 1.0
CB B:HIS54 3.6 19.7 1.0
OE2 B:GLU51 3.7 24.2 1.0
O B:HOH166 3.8 34.3 1.0
CG B:GLU18 4.0 19.5 1.0
CG2 B:ILE123 4.1 21.5 1.0
FE B:FE2162 4.1 35.3 1.0
CA B:GLU51 4.2 18.6 1.0
NE2 B:HIS54 4.2 18.6 1.0
CG B:GLU127 4.3 17.0 1.0
CG B:GLU51 4.3 20.0 1.0
CB B:GLU51 4.3 18.4 1.0
CD2 B:HIS54 4.3 18.7 1.0
CB B:GLU18 4.8 19.9 1.0
O B:GLU51 4.9 16.1 1.0
O B:ASP50 4.9 20.4 1.0
CE1 B:HIS130 5.0 21.6 0.7
N B:GLU51 5.0 19.5 1.0

Iron binding site 10 out of 108 in 3is8

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Iron binding site 10 out of 108 in the Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Structure of Mineralized Bfrb Soaked with FESO4 From Pseudomonas Aeruginosa to 2.25A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe162

b:35.3
occ:1.00
OE1 B:GLU127 1.9 24.0 1.0
ND1 B:HIS130 2.0 19.6 0.7
OE2 B:GLU51 2.1 24.2 1.0
OE2 B:GLU94 2.2 28.6 1.0
O B:HOH166 2.5 34.3 1.0
OE1 B:GLU94 2.5 29.8 1.0
CD B:GLU94 2.7 25.8 1.0
CE1 B:HIS130 2.9 21.6 0.7
CD B:GLU127 3.0 19.9 1.0
ND1 B:HIS130 3.1 16.2 0.3
CD B:GLU51 3.1 22.3 1.0
CG B:HIS130 3.2 19.2 0.7
OE1 B:GLU51 3.4 27.5 1.0
OE2 B:GLU127 3.5 19.6 1.0
CB B:HIS130 3.7 18.6 0.7
CB B:HIS130 3.8 18.8 0.3
CG B:HIS130 3.8 18.0 0.3
CA B:GLU127 4.0 18.4 1.0
NE2 B:HIS130 4.1 23.9 0.7
CG B:GLU127 4.1 17.0 1.0
FE B:FE2161 4.1 25.8 1.0
CE1 B:HIS130 4.1 14.4 0.3
CG B:GLU94 4.1 23.6 1.0
CB B:GLU127 4.2 18.5 1.0
CD2 B:HIS130 4.2 21.7 0.7
OH B:TYR25 4.3 20.7 1.0
CG B:GLU51 4.5 20.0 1.0
CE2 B:TYR25 4.6 24.3 1.0
N B:GLU127 4.9 18.6 1.0
O B:GLU127 4.9 18.9 1.0
CB B:GLU94 5.0 21.9 1.0
CZ B:TYR25 5.0 24.8 1.0

Reference:

S.K.Weeratunga, S.Lovell, H.Yao, K.P.Battaile, C.J.Fischer, C.E.Gee, M.Rivera. Structural Studies of Bacterioferritin B From Pseudomonas Aeruginosa Suggest A Gating Mechanism For Iron Uptake Via the Ferroxidase Center Biochemistry V. 49 1160 2010.
ISSN: ISSN 0006-2960
PubMed: 20067302
DOI: 10.1021/BI9015204
Page generated: Sun Dec 13 15:09:08 2020

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