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Chlorine in PDB 6i9t: Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N

Enzymatic activity of Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N

All present enzymatic activity of Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N:
1.16.3.1;

Protein crystallography data

The structure of Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N, PDB code: 6i9t was solved by C.Pozzi, F.Di Pisa, S.Mangani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.30 / 1.20
Space group F 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 183.830, 183.830, 183.830, 90.00, 90.00, 90.00
R / Rfree (%) 12.1 / 13.7

Other elements in 6i9t:

The structure of Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N also contains other interesting chemical elements:

Magnesium (Mg) 13 atoms
Iron (Fe) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N (pdb code 6i9t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N, PDB code: 6i9t:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 6i9t

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Chlorine binding site 1 out of 9 in the Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl214

b:8.1
occ:0.25
 NE2 A:HIS169 3.2 10.3 1.0
CD2 A:LEU165 3.9 10.1 1.0
CE1 A:HIS169 3.9 13.8 1.0
CD2 A:HIS169 4.2 8.6 1.0

Chlorine binding site 2 out of 9 in 6i9t

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Chlorine binding site 2 out of 9 in the Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl215

b:14.0
occ:0.25
 O A:HOH636 3.1 42.4 1.0
CE1 A:HIS169 3.7 13.8 1.0
ND1 A:HIS169 4.5 13.2 1.0
NE2 A:HIS169 4.6 10.3 1.0
O A:HOH505 4.9 39.3 1.0

Chlorine binding site 3 out of 9 in 6i9t

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Chlorine binding site 3 out of 9 in the Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl216

b:11.3
occ:0.90
 O A:HOH504 2.8 40.9 1.0
O A:HOH522 2.9 34.9 1.0
N A:TYR8 3.3 6.0 1.0
O A:HOH573 3.3 40.9 1.0
N A:ASN7 3.4 6.0 1.0
O A:TYR8 3.5 7.3 1.0
CD A:ARG5 3.5 7.6 1.0
CG A:ARG5 3.6 6.8 1.0
NE A:ARG5 3.6 7.7 1.0
O A:HOH492 3.9 19.5 1.0
C A:GLN6 3.9 5.8 1.0
CA A:GLN6 4.0 6.2 1.0
N A:GLN6 4.1 5.8 1.0
C A:TYR8 4.1 6.2 1.0
CA A:ASN7 4.1 6.3 1.0
CA A:TYR8 4.1 6.1 1.0
C A:ASN7 4.1 6.3 1.0
C A:ARG5 4.3 6.5 1.0
CB A:TYR8 4.4 6.5 1.0
CB A:ARG5 4.4 7.0 1.0
O A:HOH621 4.5 27.4 1.0
O A:ARG5 4.5 7.6 1.0
O A:GLN6 4.8 6.4 1.0
CZ A:ARG5 4.9 7.1 1.0
CA A:ARG5 5.0 6.3 1.0

Chlorine binding site 4 out of 9 in 6i9t

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Chlorine binding site 4 out of 9 in the Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl217

b:22.3
occ:0.90
 O A:HOH589 2.7 39.8 1.0
N A:SER10 3.1 7.3 1.0
O A:HOH569 3.1 35.0 1.0
O A:HOH608 3.2 34.4 1.0
CB A:SER10 3.7 9.2 1.0
CA A:HIS9 3.7 7.2 1.0
CD2 A:HIS9 3.8 9.8 1.0
CG A:HIS9 3.8 8.3 1.0
NE2 A:HIS9 3.9 11.3 1.0
C A:HIS9 3.9 6.6 1.0
ND1 A:HIS9 3.9 8.4 1.0
O A:HOH504 3.9 40.9 1.0
CE1 A:HIS9 4.0 9.9 1.0
CA A:SER10 4.0 7.6 1.0
O A:HOH573 4.2 40.9 1.0
O A:TYR8 4.3 7.3 1.0
CB A:HIS9 4.4 7.4 1.0
N A:HIS9 4.8 6.8 1.0
O A:HOH560 4.9 37.4 1.0
O A:HOH543 4.9 32.4 1.0

Chlorine binding site 5 out of 9 in 6i9t

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Chlorine binding site 5 out of 9 in the Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl218

b:13.0
occ:0.90
 O A:HOH546 3.0 12.8 1.0
O A:HOH658 3.1 30.6 1.0
O A:HOH501 3.3 25.9 1.0
O A:HOH476 3.3 23.3 1.0
ND2 A:ASN17 3.3 6.7 1.0
CB A:ASN17 3.7 5.6 1.0
CA A:ALA14 4.0 6.3 1.0
CG A:ASN17 4.0 5.5 1.0
CB A:VAL77 4.0 8.1 1.0
CB A:ALA14 4.1 7.2 1.0
O A:HOH656 4.2 37.4 1.0
O A:ALA14 4.3 6.7 1.0
CG2 A:VAL77 4.3 9.8 1.0
CG1 A:VAL77 4.4 9.7 1.0
C A:ALA14 4.6 6.2 1.0
O A:HOH360 4.7 9.8 1.0
O A:HOH613 4.9 41.8 1.0

Chlorine binding site 6 out of 9 in 6i9t

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Chlorine binding site 6 out of 9 in the Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl219

b:16.8
occ:0.85
 O A:HOH314 2.9 32.3 1.0
O A:HOH503 3.1 33.8 1.0
N A:ASP87 3.1 8.0 1.0
N A:GLU88 3.7 7.9 1.0
CA A:ARG86 3.7 8.3 1.0
CB A:ARG86 3.8 8.4 1.0
C A:ARG86 3.9 8.1 1.0
CA A:ASP87 4.0 8.5 1.0
O A:GLU88 4.0 9.2 1.0
CG A:GLU88 4.0 10.1 0.6
CB A:ASP87 4.1 10.1 1.0
CG A:ARG86 4.2 10.7 1.0
O A:HOH329 4.3 38.0 1.0
C A:ASP87 4.3 8.5 1.0
OE2 A:GLU88 4.5 13.7 0.6
O A:HOH510 4.5 38.5 1.0
CA A:GLU88 4.6 11.7 0.4
CB A:GLU88 4.6 12.7 0.4
CA A:GLU88 4.6 8.9 0.6
NE A:ARG86 4.6 14.6 1.0
OD2 A:ASP87 4.6 16.4 1.0
CG A:ASP87 4.7 11.3 1.0
O A:HOH603 4.8 22.7 0.6
CB A:GLU88 4.8 9.5 0.6
CD A:GLU88 4.8 10.8 0.6
C A:GLU88 4.8 7.5 1.0

Chlorine binding site 7 out of 9 in 6i9t

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Chlorine binding site 7 out of 9 in the Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl220

b:17.2
occ:0.90
 O A:HOH604 2.5 30.8 1.0
OG1 A:THR105 3.1 8.6 1.0
O A:HOH421 3.1 10.6 1.0
CA A:LEU102 3.6 7.3 1.0
O A:GLN101 3.7 7.8 1.0
N A:LEU102 3.7 6.8 1.0
O A:HOH353 3.7 21.9 1.0
CG A:GLN101 3.7 13.1 0.5
C A:GLN101 3.8 6.8 1.0
CB A:THR105 3.8 7.4 1.0
CB A:GLN101 4.3 11.6 0.5
CG2 A:THR105 4.3 9.0 1.0
CB A:LEU102 4.3 7.8 1.0
CD A:GLN101 4.4 14.9 0.5
CD1 A:LEU102 4.4 10.2 1.0
CB A:GLN101 4.4 10.9 0.5
CA A:GLN101 4.7 10.8 0.5
NE2 A:GLN101 4.7 16.9 0.5
CA A:GLN101 4.7 10.2 0.5
O A:HOH644 4.7 18.9 1.0
O A:HOH394 4.7 27.5 1.0
C A:LEU102 4.7 6.7 1.0
O A:HOH481 4.8 20.1 1.0
O A:HOH495 4.8 35.7 1.0
O A:LEU102 4.9 7.1 1.0

Chlorine binding site 8 out of 9 in 6i9t

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Chlorine binding site 8 out of 9 in the Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl221

b:16.0
occ:0.90
 O A:HOH355 3.0 20.2 1.0
NE2 A:GLN108 3.2 10.8 1.0
O A:HOH418 3.2 17.3 0.5
CD A:GLN108 4.1 9.7 1.0
OE1 A:GLN108 4.1 12.3 1.0
CD1 A:LEU111 4.1 8.8 1.0
CB A:LEU111 4.2 7.0 1.0
O A:HOH545 4.3 45.9 1.0
OD1 A:ASP112 4.7 10.4 1.0
CG A:LEU111 4.8 7.2 1.0
O A:HOH470 5.0 10.0 1.0

Chlorine binding site 9 out of 9 in 6i9t

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Chlorine binding site 9 out of 9 in the Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Two Minutes Iron Loaded Rana Catesbeiana H' Ferritin Variant H54N within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl222

b:13.5
occ:0.80
 O A:HOH606 3.0 28.3 1.0
N A:GLU136 3.2 11.7 0.5
N A:GLU136 3.2 11.3 0.5
C A:GLU132 3.4 9.1 1.0
N A:TYR133 3.4 7.5 1.0
N A:GLU135 3.4 8.9 1.0
O A:SER131 3.6 11.4 1.0
O A:GLU132 3.7 11.7 1.0
CB A:GLU135 3.7 11.4 1.0
C A:TYR133 3.7 8.1 1.0
C A:SER131 3.8 9.2 1.0
CA A:GLU135 3.8 9.7 1.0
CA A:GLU132 3.9 9.2 1.0
O A:HOH380 3.9 32.7 1.0
N A:GLU132 3.9 8.6 1.0
CA A:TYR133 3.9 8.5 1.0
N A:LEU134 3.9 8.3 1.0
C A:GLU135 3.9 9.9 1.0
CB A:GLU136 4.0 13.2 0.5
CB A:GLU136 4.0 12.6 0.5
CG A:GLU136 4.0 13.6 0.5
O A:TYR133 4.1 9.2 1.0
CA A:GLU136 4.1 12.2 0.5
O A:GLU130 4.1 12.3 1.0
O A:HOH323 4.1 53.3 1.0
CA A:GLU136 4.2 11.8 0.5
C A:LEU134 4.4 8.1 1.0
CG A:GLU135 4.4 11.9 1.0
CA A:SER131 4.8 11.3 0.4
CA A:LEU134 4.8 8.4 1.0
CA A:SER131 4.8 10.8 0.6
C A:GLU130 4.9 9.3 1.0

Reference:

C.Pozzi, F.Di Pisa, D.Lalli, C.Rosa, P.Turano, S.Mangani. Effect of the Point Mutation H54N on the Ferroxidase Process of Rana Catesbeiana H' Ferritin. J.Inorg.Biochem. V. 197 10697 2019.
ISSN: ISSN 0162-0134
PubMed: 31075719
DOI: 10.1016/J.JINORGBIO.2019.110697
Page generated: Sat Dec 12 13:10:02 2020

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