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Chlorine in PDB 5jac: Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A

Enzymatic activity of Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A

All present enzymatic activity of Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A:
1.16.3.1;

Protein crystallography data

The structure of Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A, PDB code: 5jac was solved by C.Pozzi, F.Di Pisa, S.Mangani, C.Bernacchioni, P.Turano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.63 / 1.18
Space group F 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 184.372, 184.372, 184.372, 90.00, 90.00, 90.00
R / Rfree (%) 12.1 / 13.4

Other elements in 5jac:

The structure of Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A also contains other interesting chemical elements:

Magnesium (Mg) 9 atoms
Iron (Fe) 3 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Chlorine atom in the Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A (pdb code 5jac). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 14 binding sites of Chlorine where determined in the Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A, PDB code: 5jac:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 14 in 5jac

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Chlorine binding site 1 out of 14 in the Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:12.5
occ:0.80
 O A:HOH507 2.8 32.1 1.0
O A:HOH547 3.2 37.1 1.0
O A:HOH515 3.2 26.7 1.0
N A:TYR8 3.3 7.9 1.0
N A:ASN7 3.4 7.8 1.0
O A:TYR8 3.5 9.2 1.0
CD A:ARG5 3.5 9.6 1.0
NE A:ARG5 3.6 9.5 1.0
CG A:ARG5 3.6 8.8 1.0
O A:HOH478 3.8 21.9 1.0
C A:GLN6 4.0 7.3 1.0
CA A:GLN6 4.1 7.6 1.0
C A:TYR8 4.1 8.3 1.0
N A:GLN6 4.1 7.7 1.0
CA A:ASN7 4.1 8.1 1.0
CA A:TYR8 4.1 8.0 1.0
C A:ASN7 4.2 7.7 1.0
O A:HOH588 4.3 31.0 1.0
C A:ARG5 4.4 8.0 1.0
CB A:TYR8 4.4 8.4 1.0
CB A:ARG5 4.5 8.7 1.0
O A:ARG5 4.5 9.0 1.0
O A:GLN6 4.8 7.9 1.0
CZ A:ARG5 4.8 9.4 1.0

Chlorine binding site 2 out of 14 in 5jac

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Chlorine binding site 2 out of 14 in the Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:15.3
occ:0.20
 FE A:FE2203 2.2 10.3 0.1
NE2 A:HIS169 3.2 13.2 0.8
CE1 A:HIS169 3.3 12.2 0.8
CD2 A:LEU165 3.7 12.9 1.0
CD2 A:HIS169 4.5 14.1 0.8
ND1 A:HIS169 4.5 11.9 0.8

Chlorine binding site 3 out of 14 in 5jac

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Chlorine binding site 3 out of 14 in the Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:13.5
occ:0.60
 O A:HOH568 2.9 14.0 1.0
O A:HOH372 3.0 23.9 1.0
CG1 A:VAL121 3.7 11.4 1.0
CA A:VAL121 3.8 9.4 1.0
CD A:PRO123 3.8 8.8 1.0
C A:VAL121 3.9 8.8 1.0
N A:PRO123 3.9 8.2 1.0
N A:ASP122 4.0 8.6 1.0
CB A:PRO123 4.1 8.9 1.0
CA A:PRO123 4.2 8.4 1.0
CG A:PRO123 4.3 10.1 1.0
C A:ASP122 4.4 8.3 1.0
CB A:VAL121 4.4 10.5 1.0
O A:VAL121 4.4 9.4 1.0
CA A:ASP122 4.8 8.3 1.0
O A:THR118 4.8 11.2 1.0
N A:VAL121 4.8 9.5 1.0
O A:ASP122 4.9 8.1 1.0
O A:HOH603 4.9 26.5 1.0
O A:HOH406 4.9 16.5 1.0

Chlorine binding site 4 out of 14 in 5jac

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Chlorine binding site 4 out of 14 in the Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:13.7
occ:0.80
 O A:HOH521 3.0 14.6 1.0
O A:HOH626 3.1 33.4 1.0
O A:HOH483 3.2 26.9 1.0
O A:HOH430 3.3 25.6 1.0
ND2 A:ASN17 3.3 8.0 1.0
CB A:ASN17 3.8 7.2 1.0
CA A:ALA14 4.0 7.9 1.0
CG A:ASN17 4.0 7.2 1.0
CB A:VAL77 4.0 9.7 1.0
O A:HOH627 4.1 41.6 1.0
CB A:ALA14 4.1 8.7 1.0
O A:ALA14 4.2 8.2 1.0
CG2 A:VAL77 4.3 11.3 1.0
CG1 A:VAL77 4.4 11.3 1.0
C A:ALA14 4.6 8.0 1.0
O A:HOH339 4.7 11.9 1.0
O A:HOH571 5.0 38.1 1.0

Chlorine binding site 5 out of 14 in 5jac

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Chlorine binding site 5 out of 14 in the Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:13.6
occ:0.60
 O A:HOH573 3.0 30.7 1.0
N A:ALA136 3.2 10.8 1.0
O A:HOH383 3.2 11.8 0.6
C A:GLU132 3.4 10.4 1.0
N A:TYR133 3.4 9.0 1.0
N A:GLU135 3.4 9.6 1.0
O A:HOH475 3.5 31.9 1.0
O A:SER131 3.5 13.7 1.0
CB A:GLU135 3.7 12.1 1.0
O A:GLU132 3.7 13.6 1.0
C A:TYR133 3.7 9.0 1.0
C A:SER131 3.8 10.6 1.0
CA A:GLU135 3.8 10.2 1.0
CA A:GLU132 3.8 10.8 1.0
N A:GLU132 3.9 10.5 1.0
CA A:TYR133 3.9 9.2 1.0
N A:LEU134 3.9 9.1 1.0
C A:GLU135 3.9 9.7 1.0
CB A:ALA136 3.9 12.8 1.0
O A:HOH386 4.1 31.6 1.0
O A:GLU130 4.1 13.2 1.0
O A:TYR133 4.1 9.8 1.0
CA A:ALA136 4.1 11.5 1.0
C A:LEU134 4.4 8.8 1.0
CG A:GLU135 4.5 12.2 0.9
O A:HOH622 4.6 14.7 0.6
O A:HOH546 4.7 27.4 1.0
CA A:SER131 4.7 11.3 0.5
CA A:LEU134 4.8 9.0 1.0
CA A:SER131 4.8 10.5 0.5
O A:HOH429 4.8 12.8 0.6
C A:GLU130 4.8 10.4 1.0
MG A:MG218 4.9 12.0 0.6

Chlorine binding site 6 out of 14 in 5jac

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Chlorine binding site 6 out of 14 in the Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl209

b:15.5
occ:0.50
 O A:HOH427 2.9 21.6 1.0
O A:HOH599 3.0 45.6 0.5
O A:HOH612 3.1 18.8 1.0
O A:HOH308 3.1 22.3 1.0
CD A:ARG86 3.7 12.1 1.0
CZ3 A:TRP89 3.8 9.9 1.0
CB A:GLU85 4.0 16.8 1.0
CG A:ARG86 4.0 11.5 1.0
CB A:ALA98 4.3 8.6 1.0
CH2 A:TRP89 4.3 10.2 1.0
O A:HOH391 4.3 13.6 1.0
O A:HOH529 4.7 44.5 1.0
CE3 A:TRP89 4.8 8.9 1.0
CG A:GLU85 4.8 19.7 0.5
CB A:ARG86 5.0 10.2 1.0
O A:HOH471 5.0 17.2 1.0

Chlorine binding site 7 out of 14 in 5jac

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Chlorine binding site 7 out of 14 in the Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl210

b:14.5
occ:0.60
 O A:HOH373 2.9 16.2 1.0
NZ A:LYS82 3.0 13.4 0.4
O A:HOH419 3.0 8.4 1.0
O A:HOH514 3.4 34.6 1.0
O A:HOH591 3.8 24.0 1.0
CE A:LYS82 4.0 10.2 0.4
O A:HOH325 4.0 22.1 1.0
CB A:ASP80 4.0 6.7 1.0
NZ A:LYS82 4.2 9.5 0.4
OD2 A:ASP80 4.2 8.3 1.0
N A:ASP80 4.3 6.2 1.0
CG A:ASP80 4.3 6.9 1.0
CE A:LYS82 4.5 12.4 0.4
CB A:GLN79 4.5 8.6 1.0
O A:ASP80 4.6 6.8 1.0
CA A:ASP80 4.7 6.3 1.0
O A:HOH542 4.7 22.9 1.0
CD A:LYS82 4.7 10.1 0.5
OE1 A:GLN79 4.9 12.0 0.8

Chlorine binding site 8 out of 14 in 5jac

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Chlorine binding site 8 out of 14 in the Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl211

b:16.9
occ:0.60
 O A:HOH343 2.9 34.2 1.0
O A:HOH607 3.1 30.6 1.0
N A:ASP87 3.1 9.9 1.0
N A:GLU88 3.7 9.9 1.0
CA A:ARG86 3.7 10.1 1.0
CB A:ARG86 3.8 10.2 1.0
C A:ARG86 3.9 9.7 1.0
CA A:ASP87 3.9 10.8 1.0
CB A:ASP87 4.0 11.8 1.0
CG A:GLU88 4.0 14.1 1.0
O A:GLU88 4.0 10.8 1.0
O A:HOH305 4.2 52.7 1.0
CG A:ARG86 4.2 11.5 1.0
C A:ASP87 4.3 10.7 1.0
O A:HOH467 4.3 31.9 1.0
OE2 A:GLU88 4.4 19.7 0.7
NE A:ARG86 4.6 12.5 0.7
OD2 A:ASP87 4.6 17.2 0.8
CG A:ASP87 4.6 12.2 0.8
CA A:GLU88 4.6 10.1 1.0
CD A:GLU88 4.8 14.7 0.7
CB A:GLU88 4.8 12.5 1.0
C A:GLU88 4.8 9.5 1.0
O A:HOH587 5.0 30.6 1.0

Chlorine binding site 9 out of 14 in 5jac

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Chlorine binding site 9 out of 14 in the Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl212

b:15.7
occ:0.50
 OG A:SER170 2.8 15.7 1.0
CL A:CL214 3.0 17.1 0.5
CG A:ASN150 3.3 8.4 1.0
ND2 A:ASN150 3.3 9.3 1.0
O A:HOH404 3.4 12.3 1.0
CB A:ASN150 3.5 8.4 1.0
CB A:SER170 3.5 12.2 1.0
CD1 A:PHE147 3.8 12.2 1.0
CE2 A:PHE166 4.0 11.2 1.0
OD1 A:ASN150 4.0 8.8 1.0
CE1 A:PHE147 4.1 14.3 1.0
CD2 A:PHE166 4.4 9.8 1.0
CA A:SER170 4.6 12.1 1.0
CA A:PHE147 4.7 7.8 1.0
O A:ASP146 4.7 8.1 1.0
CZ A:PHE166 5.0 10.6 1.0
CA A:ASN150 5.0 8.1 1.0
CG A:PHE147 5.0 10.4 1.0

Chlorine binding site 10 out of 14 in 5jac

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Chlorine binding site 10 out of 14 in the Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Sixty Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant E57A/E136A/D140A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl213

b:17.1
occ:0.60
 O A:HOH581 2.7 27.1 1.0
OG1 A:THR105 3.1 11.6 1.0
O A:HOH391 3.2 13.6 1.0
O A:GLN101 3.6 9.8 1.0
CG A:GLN101 3.6 13.6 0.4
CA A:LEU102 3.6 9.3 1.0
N A:LEU102 3.7 8.9 1.0
C A:GLN101 3.7 9.1 1.0
CB A:THR105 3.8 10.2 1.0
O A:HOH323 4.0 21.4 1.0
CB A:GLN101 4.1 11.1 0.4
CD A:GLN101 4.2 17.2 0.4
CB A:GLN101 4.3 10.6 0.6
CB A:LEU102 4.4 10.2 1.0
CG2 A:THR105 4.4 11.5 1.0
OE1 A:GLN101 4.5 22.2 0.4
CD1 A:LEU102 4.5 13.5 1.0
CA A:GLN101 4.6 9.6 0.4
CA A:GLN101 4.6 9.5 0.6
O A:HOH359 4.6 31.9 1.0
O A:HOH485 4.7 35.9 1.0
O A:HOH453 4.7 19.5 1.0
C A:LEU102 4.8 8.7 1.0
O A:HOH612 4.8 18.8 1.0
NE2 A:GLN101 4.9 21.1 0.4
O A:HOH308 4.9 22.3 1.0
O A:LEU102 4.9 9.0 1.0

Reference:

C.Bernacchioni, C.Pozzi, F.Di Pisa, S.Mangani, P.Turano. Ferroxidase Activity in Eukaryotic Ferritin Is Controlled By Accessory-Iron-Binding Sites in the Catalytic Cavity. Chemistry V. 22 16213 2016.
ISSN: ISSN 0947-6539
PubMed: 27650996
DOI: 10.1002/CHEM.201602842
Page generated: Fri Jul 26 09:51:38 2024

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