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Iron in PDB 4reu: Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli

Enzymatic activity of Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli

All present enzymatic activity of Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli:
1.16.3.1;

Protein crystallography data

The structure of Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli, PDB code: 4reu was solved by V.Thiruselvam, M.N.Ponnuswamy, T.S.Kumarevel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.50
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 127.998, 127.998, 170.902, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 23.5

Other elements in 4reu:

The structure of Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli also contains other interesting chemical elements:

Mercury (Hg) 2 atoms
Magnesium (Mg) 1 atom
Chlorine (Cl) 27 atoms

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iron atom in the Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli (pdb code 4reu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli, PDB code: 4reu:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in 4reu

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Iron binding site 1 out of 12 in the Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe201

b:25.9
occ:1.00
 OE2 A:GLU17 1.9 33.4 1.0
OE1 A:GLU50 2.0 41.6 1.0
ND1 A:HIS53 2.1 29.6 1.0
O A:HOH301 2.1 27.3 1.0
O A:HOH312 2.3 28.0 1.0
CD A:GLU17 3.0 31.5 1.0
CD A:GLU50 3.0 38.5 1.0
CE1 A:HIS53 3.0 30.4 1.0
CG A:HIS53 3.2 30.4 1.0
OE1 A:GLU17 3.3 33.6 1.0
OE2 A:GLU50 3.3 45.1 1.0
FE A:FE202 3.3 30.3 1.0
CB A:HIS53 3.6 29.5 1.0
OE1 A:GLN127 3.9 31.4 1.0
NE2 A:HIS53 4.2 30.6 1.0
CD2 A:HIS53 4.3 31.0 1.0
CG A:GLU50 4.3 35.5 1.0
CG A:GLU17 4.3 31.4 1.0
CG2 A:ILE97 4.6 33.1 1.0
CA A:GLU50 4.6 32.7 1.0
CD1 A:ILE97 4.6 35.4 1.0
CB A:GLU50 4.6 33.6 1.0
CB A:GLU17 4.7 29.1 1.0
OE2 A:GLU130 4.7 45.4 1.0
OE1 A:GLU94 4.9 34.0 1.0
OE2 A:GLU94 5.0 30.5 1.0
CD A:GLN127 5.0 30.4 1.0

Iron binding site 2 out of 12 in 4reu

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Iron binding site 2 out of 12 in the Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe202

b:30.3
occ:1.00
 OE2 A:GLU50 1.9 45.1 1.0
OE1 A:GLU94 1.9 34.0 1.0
O A:HOH301 1.9 27.3 1.0
OE2 A:GLU130 2.1 45.4 1.0
OE2 A:GLU94 2.5 30.5 1.0
CD A:GLU94 2.5 29.4 1.0
CD A:GLU50 2.9 38.5 1.0
CD A:GLU130 3.2 47.8 1.0
OE1 A:GLU50 3.3 41.6 1.0
FE A:FE201 3.3 25.9 1.0
CG A:GLU130 3.7 44.5 1.0
CE1 A:HIS46 3.8 40.6 1.0
CG A:GLU94 4.0 28.9 1.0
OE1 A:GLN127 4.1 31.4 1.0
CE1 A:HIS53 4.2 30.4 1.0
CG A:GLU50 4.2 35.5 1.0
CB A:GLU130 4.3 42.0 1.0
CD1 A:ILE97 4.3 35.4 1.0
OH A:TYR24 4.3 33.5 1.0
OE1 A:GLU130 4.3 55.9 1.0
ND1 A:HIS53 4.3 29.6 1.0
CE2 A:TYR24 4.4 38.2 1.0
ND1 A:HIS46 4.6 41.9 1.0
O A:HOH312 4.8 28.0 1.0
NE2 A:HIS46 4.8 41.8 1.0
NE2 A:GLN127 4.8 30.3 1.0
CZ A:TYR24 4.8 39.1 1.0
CD A:GLN127 4.9 30.4 1.0
OE2 A:GLU17 5.0 33.4 1.0
CB A:GLU94 5.0 29.6 1.0

Iron binding site 3 out of 12 in 4reu

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Iron binding site 3 out of 12 in the Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe201

b:28.6
occ:1.00
 O B:HOH319 1.7 31.6 1.0
OE2 B:GLU17 2.0 35.8 1.0
OE1 B:GLU50 2.1 39.6 1.0
O B:HOH317 2.1 30.6 1.0
ND1 B:HIS53 2.1 40.0 1.0
CD B:GLU17 2.9 36.5 1.0
CE1 B:HIS53 3.0 35.7 1.0
CD B:GLU50 3.1 36.6 1.0
OE1 B:GLU17 3.2 37.8 1.0
CG B:HIS53 3.2 34.9 1.0
FE B:FE202 3.3 34.8 1.0
OE2 B:GLU50 3.4 35.0 1.0
CB B:HIS53 3.6 34.3 1.0
OE1 B:GLN127 3.8 31.1 1.0
NE2 B:HIS53 4.2 35.0 1.0
CD1 B:ILE97 4.2 32.4 1.0
OE1 B:GLU130 4.3 47.6 1.0
CD2 B:HIS53 4.3 34.3 1.0
CG B:GLU17 4.3 35.2 1.0
CG B:GLU50 4.4 34.6 1.0
CG2 B:ILE97 4.6 30.7 1.0
CA B:GLU50 4.6 32.4 1.0
OE1 B:GLU94 4.7 34.0 1.0
CB B:GLU50 4.7 34.7 1.0
CB B:GLU17 4.8 34.8 1.0
CD B:GLN127 4.9 30.9 1.0

Iron binding site 4 out of 12 in 4reu

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Iron binding site 4 out of 12 in the Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe202

b:34.8
occ:1.00
 OE1 B:GLU94 1.7 34.0 1.0
OE1 B:GLU130 1.8 47.6 1.0
OE2 B:GLU50 1.8 35.0 1.0
O B:HOH319 2.0 31.6 1.0
CD B:GLU94 2.5 34.9 1.0
OE2 B:GLU94 2.7 33.1 1.0
CD B:GLU50 2.8 36.6 1.0
CD B:GLU130 3.0 45.7 1.0
OE1 B:GLU50 3.2 39.6 1.0
FE B:FE201 3.3 28.6 1.0
CG B:GLU130 3.6 42.9 1.0
CE1 B:HIS46 3.7 52.2 1.0
OE1 B:GLN127 4.0 31.1 1.0
OE2 B:GLU130 4.0 53.5 1.0
CG B:GLU94 4.0 36.1 1.0
CD1 B:ILE97 4.0 32.4 1.0
CE1 B:HIS53 4.2 35.7 1.0
CG B:GLU50 4.2 34.6 1.0
CB B:GLU130 4.3 41.0 1.0
ND1 B:HIS53 4.3 40.0 1.0
OH B:TYR24 4.4 41.5 1.0
CE2 B:TYR24 4.4 40.9 1.0
ND1 B:HIS46 4.6 55.3 1.0
O B:HOH317 4.6 30.6 1.0
NE2 B:HIS46 4.7 47.5 1.0
NE2 B:GLN127 4.8 31.6 1.0
CD B:GLN127 4.8 30.9 1.0
CE2 B:PHE134 4.9 40.5 1.0
CZ B:TYR24 4.9 40.9 1.0

Iron binding site 5 out of 12 in 4reu

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Iron binding site 5 out of 12 in the Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe201

b:27.8
occ:1.00
 OE2 C:GLU17 1.9 35.2 1.0
OE1 C:GLU50 2.0 42.6 1.0
ND1 C:HIS53 2.0 34.8 1.0
O C:HOH301 2.1 29.8 1.0
O C:HOH319 2.3 35.1 1.0
CD C:GLU17 2.8 34.7 1.0
CE1 C:HIS53 2.9 34.3 1.0
CD C:GLU50 3.0 45.2 1.0
CG C:HIS53 3.0 35.5 1.0
OE1 C:GLU17 3.1 36.4 1.0
OE2 C:GLU50 3.4 44.6 1.0
CB C:HIS53 3.4 31.0 1.0
FE C:FE202 3.5 32.6 1.0
OE1 C:GLN127 3.8 36.5 1.0
NE2 C:HIS53 4.1 34.1 1.0
CG C:GLU17 4.1 32.8 1.0
CD2 C:HIS53 4.1 34.3 1.0
CG C:GLU50 4.4 38.5 1.0
OE1 C:GLU130 4.5 40.1 1.0
CD1 C:ILE97 4.6 34.2 1.0
CG2 C:ILE97 4.6 32.2 1.0
CB C:GLU17 4.6 32.0 1.0
CA C:GLU50 4.6 32.3 1.0
CB C:GLU50 4.8 34.0 1.0
CA C:HIS53 4.9 32.5 1.0

Iron binding site 6 out of 12 in 4reu

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Iron binding site 6 out of 12 in the Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe202

b:32.6
occ:1.00
 OE2 C:GLU50 1.8 44.6 1.0
O C:HOH301 1.8 29.8 1.0
OE1 C:GLU130 2.0 40.1 1.0
OE1 C:GLU94 2.1 35.7 1.0
OE2 C:GLU94 2.4 37.6 1.0
CD C:GLU94 2.6 37.0 1.0
CD C:GLU50 2.9 45.2 1.0
CD C:GLU130 3.1 42.9 1.0
OE1 C:GLU50 3.3 42.6 1.0
FE C:FE201 3.5 27.8 1.0
CG C:GLU130 3.6 41.3 1.0
CE1 C:HIS46 3.8 42.3 1.0
CG C:GLU94 4.0 36.2 1.0
OE1 C:GLN127 4.1 36.5 1.0
CE1 C:HIS53 4.1 34.3 1.0
OE2 C:GLU130 4.1 45.4 1.0
CG C:GLU50 4.2 38.5 1.0
ND1 C:HIS53 4.3 34.8 1.0
CB C:GLU130 4.3 40.5 1.0
OH C:TYR24 4.3 43.7 1.0
CD1 C:ILE97 4.3 34.2 1.0
CE2 C:TYR24 4.4 48.0 1.0
ND1 C:HIS46 4.5 39.9 1.0
NE2 C:HIS46 4.8 43.4 1.0
CZ C:TYR24 4.8 47.9 1.0
OE2 C:GLU17 4.9 35.2 1.0
NE2 C:GLN127 4.9 38.7 1.0
CD C:GLN127 4.9 37.9 1.0
O C:HOH319 5.0 35.1 1.0
CE2 C:PHE134 5.0 46.6 1.0

Iron binding site 7 out of 12 in 4reu

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Iron binding site 7 out of 12 in the Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe201

b:28.7
occ:1.00
 OE1 D:GLU50 1.6 40.3 1.0
OE2 D:GLU17 2.0 30.3 1.0
ND1 D:HIS53 2.1 27.3 1.0
O D:HOH305 2.3 24.5 1.0
O D:HOH323 2.5 40.1 1.0
CD D:GLU50 2.9 38.6 1.0
CD D:GLU17 3.0 33.5 1.0
CE1 D:HIS53 3.0 28.1 1.0
CG D:HIS53 3.2 29.6 1.0
OE1 D:GLU17 3.3 36.2 1.0
FE D:FE202 3.4 33.9 1.0
CB D:HIS53 3.6 29.6 1.0
OE2 D:GLU50 3.7 32.3 1.0
OE1 D:GLN127 3.8 34.9 1.0
CG D:GLU50 3.8 40.4 1.0
NE2 D:HIS53 4.2 28.3 1.0
CD2 D:HIS53 4.3 30.1 1.0
CG D:GLU17 4.4 32.5 1.0
CG2 D:ILE97 4.5 32.8 1.0
OE2 D:GLU130 4.6 45.6 1.0
CD1 D:ILE97 4.7 33.7 1.0
CD D:GLN127 4.8 31.2 1.0
OE1 D:GLU94 4.8 38.8 1.0
CA D:GLU50 4.8 33.1 1.0
CB D:GLU17 4.9 30.7 1.0
CB D:GLU50 4.9 36.6 1.0

Iron binding site 8 out of 12 in 4reu

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Iron binding site 8 out of 12 in the Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe202

b:33.9
occ:1.00
 O D:HOH305 1.7 24.5 1.0
OE1 D:GLU94 1.8 38.8 1.0
OE2 D:GLU130 2.1 45.6 1.0
OE2 D:GLU50 2.3 32.3 1.0
CD D:GLU94 2.6 35.4 1.0
OE2 D:GLU94 2.7 35.7 1.0
OE1 D:GLU50 2.7 40.3 1.0
CD D:GLU50 2.8 38.6 1.0
CD D:GLU130 3.2 51.4 1.0
FE D:FE201 3.4 28.7 1.0
CG D:GLU130 3.7 44.0 1.0
CE1 D:HIS46 3.9 45.2 1.0
CG D:GLU94 4.0 36.6 1.0
OH D:TYR24 4.0 51.6 1.0
OE1 D:GLN127 4.1 34.9 1.0
CE1 D:HIS53 4.2 28.1 1.0
CG D:GLU50 4.3 40.4 1.0
OE1 D:GLU130 4.3 54.5 1.0
CE2 D:TYR24 4.3 46.7 1.0
ND1 D:HIS46 4.4 41.8 1.0
CD1 D:ILE97 4.4 33.7 1.0
ND1 D:HIS53 4.4 27.3 1.0
CB D:GLU130 4.5 44.6 1.0
CZ D:TYR24 4.6 47.9 1.0
NE2 D:GLN127 4.7 30.9 1.0
CD D:GLN127 4.9 31.2 1.0

Iron binding site 9 out of 12 in 4reu

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Iron binding site 9 out of 12 in the Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe201

b:29.7
occ:1.00
 OE1 E:GLU17 1.9 37.5 1.0
O E:HOH319 2.1 40.3 1.0
OE1 E:GLU50 2.1 38.1 1.0
ND1 E:HIS53 2.1 36.0 1.0
O E:HOH318 2.3 32.2 1.0
CD E:GLU17 2.8 34.6 1.0
CG E:HIS53 3.1 35.2 1.0
OE2 E:GLU17 3.1 35.3 1.0
CE1 E:HIS53 3.1 36.4 1.0
CD E:GLU50 3.2 37.5 1.0
CB E:HIS53 3.4 35.1 1.0
FE E:FE202 3.4 33.3 1.0
OE2 E:GLU50 3.6 37.0 1.0
OE1 E:GLN127 3.9 34.2 1.0
CG E:GLU17 4.2 32.1 1.0
NE2 E:HIS53 4.2 36.6 1.0
CD2 E:HIS53 4.3 36.4 1.0
CG E:GLU50 4.5 38.2 1.0
OE1 E:GLU130 4.6 48.7 1.0
CD1 E:ILE97 4.6 37.6 1.0
CB E:GLU17 4.6 31.0 1.0
CA E:GLU50 4.6 36.6 1.0
CG2 E:ILE97 4.7 38.0 1.0
CB E:GLU50 4.7 35.9 1.0
CA E:HIS53 4.9 34.5 1.0
CD E:GLN127 5.0 33.3 1.0

Iron binding site 10 out of 12 in 4reu

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Iron binding site 10 out of 12 in the Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Revelation of Endogenously Bound FE2+ Ions in the Crystal Structure of Ferritin From Escherichia Coli within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe202

b:33.3
occ:1.00
 OE1 E:GLU94 1.9 37.1 1.0
OE2 E:GLU50 1.9 37.0 1.0
O E:HOH319 2.1 40.3 1.0
OE1 E:GLU130 2.1 48.7 1.0
CD E:GLU94 2.6 40.1 1.0
OE2 E:GLU94 2.7 43.3 1.0
CD E:GLU50 2.9 37.5 1.0
CD E:GLU130 3.1 49.9 1.0
OE1 E:GLU50 3.2 38.1 1.0
FE E:FE201 3.4 29.7 1.0
CG E:GLU130 3.5 44.9 1.0
CE1 E:HIS46 4.0 42.4 1.0
CD1 E:ILE97 4.1 37.6 1.0
CG E:GLU94 4.1 43.1 1.0
OE1 E:GLN127 4.2 34.2 1.0
CE1 E:HIS53 4.2 36.4 1.0
CB E:GLU130 4.2 41.3 1.0
CG E:GLU50 4.3 38.2 1.0
OH E:TYR24 4.3 43.1 1.0
OE2 E:GLU130 4.3 58.0 1.0
ND1 E:HIS53 4.3 36.0 1.0
CE2 E:TYR24 4.3 47.4 1.0
NE2 E:GLN127 4.5 33.5 1.0
ND1 E:HIS46 4.6 39.8 1.0
CZ E:TYR24 4.8 50.1 1.0
CD E:GLN127 4.8 33.3 1.0
CE2 E:PHE134 4.8 44.2 1.0
O E:HOH318 4.9 32.2 1.0
OE1 E:GLU17 4.9 37.5 1.0

Reference:

V.Thiruselvam, P.Sivaraman, T.S.Kumarevel, M.N.Ponnuswamy. Revelation of Endogenously Bound Fe(2+) Ions in the Crystal Structure of Ferritin From Escherichia Coli. Biochem.Biophys.Res.Commun. 2014.
ISSN: ESSN 1090-2104
PubMed: 25305494
DOI: 10.1016/J.BBRC.2014.10.007
Page generated: Mon Aug 5 09:16:54 2024

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