Chlorine in PDB 7o66: Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site

Enzymatic activity of Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site

All present enzymatic activity of Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site:
1.16.3.1;

Protein crystallography data

The structure of Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site, PDB code: 7o66 was solved by C.Pozzi, S.Ciambellotti, G.Tassone, P.Turano, S.Mangani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.99 / 1.60
Space group F 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 183.83, 183.83, 183.83, 90, 90, 90
R / Rfree (%) 15.5 / 17.9

Other elements in 7o66:

The structure of Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site also contains other interesting chemical elements:

Iron (Fe) 11 atoms
Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site (pdb code 7o66). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site, PDB code: 7o66:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 7o66

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Chlorine binding site 1 out of 6 in the Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl213

b:23.9
occ:0.25
 FE A:FE2202 2.4 22.5 0.2
NE2 A:HIS173 3.1 19.3 0.6
CE1 A:HIS173 3.3 21.9 0.6
NE2 A:HIS173 3.3 19.1 0.4
CE1 A:HIS173 3.4 20.0 0.4
CD2 A:LEU169 3.8 22.6 1.0
CD2 A:HIS173 4.4 20.4 0.4
CD2 A:HIS173 4.4 21.3 0.6
ND1 A:HIS173 4.4 20.4 0.4
ND1 A:HIS173 4.5 20.9 0.6
O A:HOH467 4.7 20.1 0.2
CG A:HIS173 4.9 20.3 0.4

Chlorine binding site 2 out of 6 in 7o66

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Chlorine binding site 2 out of 6 in the Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl214

b:25.4
occ:0.70
 O A:HOH367 2.9 23.6 1.0
O A:HOH408 3.1 15.6 1.0
NZ A:LYS86 3.1 20.7 0.5
O A:HOH547 3.3 41.8 0.3
O A:HOH511 3.4 47.3 1.0
O A:HOH327 3.9 33.6 1.0
O A:HOH558 3.9 34.0 1.0
CB A:ASP84 4.1 14.2 1.0
OD2 A:ASP84 4.1 16.4 1.0
CE A:LYS86 4.2 19.1 0.5
NZ A:LYS86 4.2 16.7 0.5
CG A:ASP84 4.3 15.0 1.0
N A:ASP84 4.4 13.6 1.0
O A:HOH485 4.6 34.9 0.5
CE A:LYS86 4.6 20.3 0.5
O A:ASP84 4.7 13.7 1.0
CB A:GLN83 4.7 17.0 1.0
O A:HOH592 4.7 46.5 1.0
CA A:ASP84 4.8 13.3 1.0
CD A:LYS86 4.8 16.6 0.5
O A:HOH537 4.9 31.1 1.0
OE1 A:GLN83 5.0 24.3 1.0

Chlorine binding site 3 out of 6 in 7o66

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Chlorine binding site 3 out of 6 in the Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl215

b:24.7
occ:0.70
 O A:HOH499 2.9 34.4 0.5
O A:HOH505 3.2 39.7 1.0
N A:PHE12 3.2 18.7 1.0
O A:HOH540 3.4 36.4 0.5
N A:ASN11 3.4 18.8 1.0
O A:PHE12 3.5 20.0 1.0
CD A:ARG9 3.6 19.1 1.0
NE A:ARG9 3.6 20.2 1.0
CG A:ARG9 3.6 18.7 1.0
O A:HOH515 3.7 39.2 1.0
O A:HOH463 3.7 35.1 1.0
C A:GLN10 3.8 18.2 1.0
CA A:GLN10 3.9 17.6 1.0
N A:GLN10 4.0 16.6 1.0
C A:PHE12 4.0 18.8 1.0
CA A:PHE12 4.0 18.0 1.0
CA A:ASN11 4.1 18.0 1.0
C A:ASN11 4.1 18.1 1.0
CB A:PHE12 4.3 18.1 1.0
C A:ARG9 4.3 17.6 1.0
CB A:ARG9 4.5 18.4 1.0
O A:ARG9 4.6 19.7 1.0
O A:GLN10 4.7 17.2 1.0
CZ A:ARG9 4.9 20.3 1.0

Chlorine binding site 4 out of 6 in 7o66

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Chlorine binding site 4 out of 6 in the Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl216

b:33.4
occ:0.80
 O A:HOH388 2.8 36.8 1.0
O A:HOH570 2.9 29.4 1.0
CA A:GLY125 3.6 18.8 1.0
CD A:PRO127 3.7 17.7 1.0
C A:GLY125 3.7 19.5 1.0
N A:PRO127 3.8 17.5 1.0
N A:ASP126 3.8 17.8 1.0
CB A:PRO127 4.0 17.0 1.0
CA A:PRO127 4.1 17.3 1.0
O A:GLY125 4.2 19.7 1.0
C A:ASP126 4.2 18.0 1.0
CG A:PRO127 4.3 16.7 1.0
O A:SER122 4.5 21.1 1.0
N A:GLY125 4.6 19.6 1.0
O A:HOH447 4.6 44.2 1.0
CA A:ASP126 4.6 17.0 1.0
O A:ASP126 4.8 17.9 1.0
CA A:SER122 4.9 21.1 0.5
CA A:SER122 4.9 21.4 0.5
O A:ALA121 4.9 20.1 1.0

Chlorine binding site 5 out of 6 in 7o66

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Chlorine binding site 5 out of 6 in the Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl217

b:21.4
occ:0.70
 ND1 A:HIS151 2.9 17.7 1.0
O A:HOH329 2.9 30.6 0.5
ND2 A:ASN154 3.3 21.6 1.0
C A:ASP150 3.5 16.6 1.0
O A:ASP150 3.6 18.0 1.0
CE1 A:HIS151 3.6 18.6 1.0
N A:HIS151 3.6 15.9 1.0
CA A:HIS151 3.7 15.6 1.0
CB A:ASP150 3.7 17.5 1.0
CG2 A:THR174 4.0 19.1 0.4
CG A:HIS151 4.1 17.1 1.0
CG2 A:THR174 4.1 20.3 0.6
CE1 A:PHE170 4.1 20.6 1.0
O A:HOH383 4.1 39.1 1.0
CG A:ASN154 4.1 20.1 1.0
CA A:ASP150 4.3 16.5 1.0
CZ A:PHE170 4.3 18.8 1.0
CB A:ASN154 4.4 17.3 1.0
CB A:HIS151 4.4 15.8 1.0
O A:HOH477 4.7 28.0 1.0
OG1 A:THR174 4.8 20.0 0.6
O A:HOH568 4.8 47.4 1.0
OG1 A:THR174 4.8 18.3 0.4
NE2 A:HIS151 4.8 20.3 1.0
CG A:ASP150 4.9 21.5 1.0
C A:HIS151 4.9 16.6 1.0

Chlorine binding site 6 out of 6 in 7o66

Go back to Chlorine Binding Sites List in 7o66
Chlorine binding site 6 out of 6 in the Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Human Mitochondrial Ferritin (Hmtf) Fe(II)-Loaded For 60 Minutes Showing Either A Dioxygen or A Superoxide Anion Coordinated to Iron Ions in the Ferroxidase Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl218

b:38.7
occ:0.60
 ND1 A:HIS153 3.2 18.9 1.0
CE1 A:HIS153 4.1 19.9 1.0
CG A:HIS153 4.2 17.0 1.0
CA A:HIS153 4.2 18.2 1.0
O A:HOH557 4.3 43.5 1.0
CB A:HIS153 4.3 16.8 1.0
CG1 A:VAL156 4.4 19.8 1.0
CB A:VAL156 4.6 18.3 1.0
O A:HIS153 4.8 17.0 1.0
O A:HOH574 5.0 36.5 0.5

Reference:

S.Ciambellotti, A.Pratesi, G.Tassone, P.Turano, S.Mangani, C.Pozzi. Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin. Chemistry 2021.
ISSN: ISSN 0947-6539
PubMed: 34343376
DOI: 10.1002/CHEM.202102270
Page generated: Tue Jul 30 01:17:08 2024

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