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Chlorine in PDB 4mn9: Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q

Enzymatic activity of Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q

All present enzymatic activity of Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q:
1.16.3.1;

Protein crystallography data

The structure of Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q, PDB code: 4mn9 was solved by S.Mangani, F.Di Pisa, C.Pozzi, P.Turano, D.Lalli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.47 / 1.15
Space group F 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 183.930, 183.930, 183.930, 90.00, 90.00, 90.00
R / Rfree (%) 14.1 / 15.3

Other elements in 4mn9:

The structure of Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms
Iron (Fe) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q (pdb code 4mn9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q, PDB code: 4mn9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 4mn9

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Chlorine binding site 1 out of 10 in the Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl215

b:10.6
occ:0.80
 O A:HOH544 3.0 26.8 1.0
O A:HOH472 3.2 22.2 1.0
O A:HOH533 3.2 26.6 1.0
N A:TYR8 3.3 6.5 1.0
N A:ASN7 3.4 6.2 1.0
O A:TYR8 3.5 7.5 1.0
CD A:ARG5 3.5 7.7 1.0
NE A:ARG5 3.6 7.7 1.0
CG A:ARG5 3.6 7.1 1.0
O A:HOH394 3.8 19.3 1.0
C A:GLN6 4.0 6.2 1.0
C A:TYR8 4.0 6.5 1.0
CA A:GLN6 4.0 6.3 1.0
N A:GLN6 4.1 6.3 1.0
CA A:ASN7 4.1 6.5 1.0
CA A:TYR8 4.1 6.4 1.0
C A:ASN7 4.1 6.4 1.0
O A:HOH508 4.2 31.1 1.0
C A:ARG5 4.3 6.6 1.0
CB A:TYR8 4.4 6.5 1.0
CB A:ARG5 4.5 7.0 1.0
O A:ARG5 4.5 7.3 1.0
O A:GLN6 4.8 6.4 1.0
CZ A:ARG5 4.9 7.6 1.0

Chlorine binding site 2 out of 10 in 4mn9

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Chlorine binding site 2 out of 10 in the Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl216

b:11.2
occ:0.80
 O A:HOH369 3.0 12.6 1.0
O A:HOH495 3.1 24.2 1.0
O A:HOH407 3.2 21.5 1.0
ND2 A:ASN17 3.3 6.2 1.0
O A:HOH457 3.3 20.7 1.0
CB A:ASN17 3.7 5.8 1.0
CA A:ALA14 4.0 6.3 1.0
O A:HOH569 4.0 28.7 1.0
CG A:ASN17 4.0 5.9 1.0
CB A:VAL77 4.0 7.9 1.0
CB A:ALA14 4.2 7.0 1.0
O A:ALA14 4.2 6.6 1.0
CG2 A:VAL77 4.3 8.8 1.0
CG1 A:VAL77 4.4 9.1 1.0
C A:ALA14 4.6 6.4 1.0
O A:HOH321 4.7 10.1 1.0
O A:HOH527 5.0 25.9 1.0

Chlorine binding site 3 out of 10 in 4mn9

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Chlorine binding site 3 out of 10 in the Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl217

b:16.5
occ:0.80
 N A:ASP87 3.1 7.7 1.0
O A:HOH539 3.2 30.2 1.0
O A:HOH500 3.2 27.4 1.0
N A:GLU88 3.7 7.8 1.0
CA A:ARG86 3.7 7.9 1.0
CB A:ARG86 3.8 8.3 1.0
C A:ARG86 3.9 7.5 1.0
CA A:ASP87 4.0 8.0 1.0
CG A:GLU88 4.0 11.5 1.0
O A:GLU88 4.0 8.4 1.0
CB A:ASP87 4.0 9.1 1.0
O A:HOH497 4.2 25.3 1.0
CG A:ARG86 4.2 9.4 1.0
C A:ASP87 4.3 8.2 1.0
OE2 A:GLU88 4.4 15.9 0.8
O A:HOH587 4.6 28.6 1.0
NE A:ARG86 4.6 11.7 1.0
CA A:GLU88 4.6 8.1 1.0
CG A:ASP87 4.7 10.0 1.0
OD2 A:ASP87 4.7 13.0 1.0
CD A:GLU88 4.7 12.9 0.8
C A:GLU88 4.8 7.6 1.0
CB A:GLU88 4.8 9.6 1.0
O A:HOH528 4.9 27.8 1.0

Chlorine binding site 4 out of 10 in 4mn9

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Chlorine binding site 4 out of 10 in the Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl218

b:11.5
occ:0.70
 O A:HOH642 3.1 31.0 1.0
O A:HOH396 3.2 11.5 0.8
N A:GLU136 3.2 8.5 1.0
O A:HOH637 3.2 25.0 1.0
C A:GLU132 3.4 8.2 1.0
N A:TYR133 3.4 7.3 1.0
N A:GLU135 3.4 7.5 1.0
CB A:GLU135 3.6 9.7 1.0
O A:SER131 3.6 10.1 1.0
O A:GLU132 3.6 9.8 1.0
C A:TYR133 3.8 7.0 1.0
CA A:GLU135 3.8 8.1 1.0
CA A:GLU132 3.8 8.6 1.0
C A:SER131 3.9 8.8 1.0
CA A:TYR133 3.9 7.3 1.0
C A:GLU135 3.9 8.1 1.0
N A:LEU134 3.9 7.0 1.0
N A:GLU132 3.9 8.4 1.0
CB A:GLU136 4.0 10.5 1.0
O A:TYR133 4.1 7.6 1.0
O A:HOH635 4.1 24.1 1.0
CA A:GLU136 4.2 9.1 1.0
O A:GLU130 4.2 10.2 1.0
CG A:GLU135 4.4 9.8 1.0
C A:LEU134 4.4 7.0 1.0
O A:HOH639 4.6 33.7 1.0
O A:HOH455 4.7 14.1 0.8
CA A:LEU134 4.8 7.1 1.0
CA A:SER131 4.9 11.7 0.5
CA A:SER131 4.9 8.8 0.5
O A:HOH393 4.9 13.0 0.8
C A:GLU130 5.0 8.5 1.0
MG A:MG209 5.0 11.9 0.8

Chlorine binding site 5 out of 10 in 4mn9

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Chlorine binding site 5 out of 10 in the Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl219

b:16.9
occ:0.70
 O A:HOH401 3.1 18.6 1.0
NZ A:LYS71 3.2 9.5 1.0
O A:HOH555 3.2 28.9 1.0
NZ A:LYS67 3.4 18.9 0.7
CE A:LYS67 3.5 16.6 0.7
O A:HOH595 3.5 36.3 1.0
CE A:LYS71 3.7 9.3 1.0
O A:HOH422 4.0 16.7 1.0
CD A:LYS71 4.0 8.9 1.0
CD A:LYS67 4.8 13.0 0.7
CG A:LYS71 4.9 7.8 1.0

Chlorine binding site 6 out of 10 in 4mn9

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Chlorine binding site 6 out of 10 in the Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl220

b:16.9
occ:0.80
 O A:HOH463 2.7 23.2 1.0
OG1 A:THR105 3.1 8.5 1.0
O A:HOH319 3.1 10.5 1.0
O A:GLN101 3.6 8.1 1.0
CA A:LEU102 3.6 7.2 1.0
N A:LEU102 3.7 7.2 1.0
C A:GLN101 3.7 7.4 1.0
CG A:GLN101 3.7 13.0 0.4
CB A:THR105 3.8 7.5 1.0
O A:HOH456 3.8 17.9 1.0
CB A:GLN101 4.3 12.8 0.4
CG2 A:THR105 4.3 8.3 1.0
CB A:LEU102 4.3 7.4 1.0
CB A:GLN101 4.4 11.5 0.6
CD1 A:LEU102 4.4 8.5 1.0
CA A:GLN101 4.7 12.4 0.4
O A:HOH506 4.7 22.8 1.0
O A:HOH381 4.7 16.2 1.0
CD A:GLN101 4.7 13.4 0.4
CA A:GLN101 4.7 11.2 0.6
C A:LEU102 4.7 6.9 1.0
O A:HOH580 4.8 29.4 1.0
O A:HOH402 4.9 18.2 1.0
O A:LEU102 4.9 7.1 1.0
O A:HOH460 4.9 19.1 1.0

Chlorine binding site 7 out of 10 in 4mn9

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Chlorine binding site 7 out of 10 in the Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl221

b:16.2
occ:0.70
 O A:HOH390 2.9 17.6 1.0
O A:HOH381 3.0 16.2 1.0
O A:HOH460 3.1 19.1 1.0
OE1 A:GLU85 3.3 22.7 0.5
CD A:GLU85 3.4 22.4 0.5
OE2 A:GLU85 3.7 22.9 0.5
CD A:ARG86 3.7 9.9 1.0
CZ3 A:TRP89 3.8 7.5 1.0
CB A:GLU85 3.9 21.4 0.5
CB A:GLU85 3.9 17.8 0.5
CG A:ARG86 4.0 9.4 1.0
CG A:GLU85 4.1 21.9 0.5
CH2 A:TRP89 4.3 7.5 1.0
O A:HOH319 4.4 10.5 1.0
CB A:ALA98 4.4 7.1 1.0
CG A:GLU85 4.7 18.1 0.5
CE3 A:TRP89 4.9 7.0 1.0
O A:HOH592 4.9 34.9 1.0
CB A:ARG86 4.9 8.3 1.0
O A:HOH372 5.0 13.8 1.0

Chlorine binding site 8 out of 10 in 4mn9

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Chlorine binding site 8 out of 10 in the Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl222

b:14.3
occ:0.70
 O A:HOH318 2.9 9.9 1.0
O A:HOH578 3.1 27.8 1.0
O A:HOH601 3.2 31.2 1.0
O A:ASP112 3.7 7.8 1.0
CA A:LEU113 3.7 7.4 1.0
N A:LEU113 3.7 6.9 1.0
C A:ASP112 3.7 7.1 1.0
CB A:ALA15 3.8 7.6 1.0
CD2 A:LEU116 4.0 8.8 1.0
CB A:ASP112 4.1 8.0 1.0
O A:HOH437 4.2 18.2 1.0
CB A:LEU116 4.2 8.1 1.0
O A:HOH327 4.3 10.9 1.0
CB A:LEU113 4.3 7.8 1.0
CD1 A:LEU113 4.4 10.3 1.0
CA A:ASP112 4.6 7.1 1.0
O A:HOH423 4.7 20.0 1.0
CG A:LEU116 4.8 8.7 1.0
O A:HOH507 4.9 26.0 1.0
O A:ALA109 4.9 6.5 1.0
NH2 A:ARG18 4.9 14.6 1.0
C A:LEU113 4.9 7.2 1.0

Chlorine binding site 9 out of 10 in 4mn9

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Chlorine binding site 9 out of 10 in the Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl223

b:16.7
occ:0.70
 O A:HOH364 3.0 13.0 1.0
O A:HOH343 3.1 11.4 1.0
ND2 A:ASN150 3.6 6.5 1.0
O A:HOH478 3.7 13.1 0.4
CB A:ASP146 3.8 6.4 1.0
CD1 A:PHE147 4.1 9.7 1.0
C A:ASP146 4.2 6.0 1.0
O A:ASP146 4.3 6.2 1.0
O A:HOH610 4.3 7.2 0.4
CE1 A:PHE147 4.3 11.4 1.0
O A:HOH338 4.3 9.3 1.0
N A:PHE147 4.5 5.8 1.0
CG A:ASN150 4.5 6.2 1.0
CA A:ASP146 4.6 6.0 1.0
O A:HOH411 4.7 16.9 1.0
OD2 A:ASP146 4.7 8.5 1.0
CG A:ASP146 4.7 6.8 1.0
CA A:PHE147 4.9 6.2 1.0

Chlorine binding site 10 out of 10 in 4mn9

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Chlorine binding site 10 out of 10 in the Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Fifteen Minutes Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl224

b:5.9
occ:0.20
 FE A:FE206 2.4 5.5 0.2
NE2 A:HIS169 3.4 7.5 1.0
CE1 A:HIS169 3.4 7.4 1.0
CD2 A:LEU165 3.6 8.0 1.0
ND1 A:HIS169 4.5 7.2 1.0
CD2 A:HIS169 4.5 7.4 1.0
O A:HOH412 4.5 7.8 0.2

Reference:

S.Mangani, F.Di Pisa, C.Pozzi, P.Turano, D.Lalli. Crystallographic Snapshots of Iron in Frog M Ferritin To Be Published.
Page generated: Sun Jul 21 20:03:25 2024

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