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Chlorine in PDB 4ml5: One Minute Iron Loaded Frog M Ferritin Mutant H54Q

Enzymatic activity of One Minute Iron Loaded Frog M Ferritin Mutant H54Q

All present enzymatic activity of One Minute Iron Loaded Frog M Ferritin Mutant H54Q:
1.16.3.1;

Protein crystallography data

The structure of One Minute Iron Loaded Frog M Ferritin Mutant H54Q, PDB code: 4ml5 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) 21.71 / 1.22
Space group F 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 184.230, 184.230, 184.230, 90.00, 90.00, 90.00
R / Rfree (%) 13.9 / 15.4

Other elements in 4ml5:

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

Magnesium (Mg) 9 atoms
Iron (Fe) 4 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Chlorine atom in the One Minute Iron Loaded Frog M Ferritin Mutant H54Q (pdb code 4ml5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the One Minute Iron Loaded Frog M Ferritin Mutant H54Q, PDB code: 4ml5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in 4ml5

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Chlorine binding site 1 out of 16 in the One Minute 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 One Minute Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl214

b:12.2
occ:0.70
 O A:HOH597 3.1 27.9 1.0
O A:HOH460 3.1 14.8 1.0
N A:GLU136 3.2 8.4 1.0
O A:HOH567 3.3 17.5 0.6
C A:GLU132 3.3 8.5 1.0
N A:TYR133 3.3 7.3 1.0
N A:GLU135 3.4 7.8 1.0
O A:SER131 3.6 10.5 1.0
CB A:GLU135 3.6 9.2 1.0
O A:GLU132 3.7 9.9 1.0
C A:TYR133 3.8 7.0 1.0
CA A:GLU135 3.8 8.2 1.0
CA A:GLU132 3.8 9.0 1.0
C A:SER131 3.8 9.1 1.0
N A:GLU132 3.9 8.7 1.0
N A:LEU134 3.9 6.9 1.0
CA A:TYR133 3.9 7.3 1.0
C A:GLU135 3.9 8.2 1.0
O A:HOH516 4.1 23.8 1.0
CB A:GLU136 4.1 9.4 1.0
O A:TYR133 4.1 7.2 1.0
O A:GLU130 4.2 10.2 1.0
CA A:GLU136 4.2 8.7 1.0
CG A:GLU135 4.4 9.7 1.0
C A:LEU134 4.4 7.1 1.0
O A:HOH644 4.7 19.0 1.0
CA A:LEU134 4.7 7.1 1.0
CA A:SER131 4.8 9.1 0.5
O A:HOH578 4.8 21.5 0.6
CA A:SER131 4.8 9.0 0.5
C A:GLU130 4.9 8.7 1.0
O A:HOH399 5.0 14.7 1.0

Chlorine binding site 2 out of 16 in 4ml5

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Chlorine binding site 2 out of 16 in the One Minute 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 One Minute Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl215

b:14.9
occ:0.80
 O A:HOH519 3.0 26.2 1.0
N A:ASP87 3.1 8.0 1.0
O A:HOH547 3.2 26.7 1.0
O A:HOH657 3.3 35.9 1.0
N A:GLU88 3.6 7.9 1.0
CA A:ARG86 3.7 8.4 1.0
CB A:ARG86 3.8 8.2 1.0
C A:ARG86 3.9 8.0 1.0
CA A:ASP87 3.9 8.4 1.0
O A:GLU88 4.0 8.3 1.0
CB A:ASP87 4.0 8.9 1.0
CG A:GLU88 4.0 10.8 1.0
CG A:ARG86 4.2 8.9 1.0
O A:HOH499 4.2 24.3 1.0
C A:ASP87 4.3 8.3 1.0
O A:HOH659 4.4 30.0 1.0
OE2 A:GLU88 4.5 15.4 1.0
NE A:ARG86 4.6 10.5 1.0
CA A:GLU88 4.6 8.3 1.0
CG A:ASP87 4.6 9.8 1.0
OD2 A:ASP87 4.7 12.6 1.0
CD A:GLU88 4.8 12.3 1.0
C A:GLU88 4.8 7.9 1.0
CB A:GLU88 4.8 9.2 1.0
O A:HOH540 4.9 26.3 1.0

Chlorine binding site 3 out of 16 in 4ml5

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Chlorine binding site 3 out of 16 in the One Minute 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 One Minute Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl216

b:14.7
occ:0.80
 NZ A:LYS82 2.8 7.8 0.5
NZ A:LYS82 3.0 8.5 0.5
CE A:LYS82 3.4 7.7 0.5
O A:HOH550 3.4 27.6 1.0
CE A:LYS82 3.5 8.0 0.5
O A:HOH463 3.8 20.5 1.0
O A:HOH451 4.8 18.2 1.0
CD A:LYS82 4.9 7.4 0.5
CD A:LYS82 5.0 7.7 0.5

Chlorine binding site 4 out of 16 in 4ml5

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Chlorine binding site 4 out of 16 in the One Minute 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 One Minute Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl217

b:13.1
occ:0.70
 O A:HOH418 3.0 17.5 1.0
NZ A:LYS115 3.1 10.9 0.5
NE2 A:GLN108 3.2 9.8 1.0
CE A:LYS115 3.6 10.2 0.5
O A:HOH608 3.8 41.5 1.0
NZ A:LYS115 4.0 13.2 0.5
CE A:LYS115 4.0 11.7 0.5
CD A:GLN108 4.1 9.1 1.0
OE1 A:GLN108 4.1 11.2 1.0
CD1 A:LEU111 4.2 7.5 1.0
CB A:LEU111 4.2 6.6 1.0
O A:HOH526 4.3 31.6 1.0
OD1 A:ASP112 4.7 9.5 1.0
CG A:LEU111 4.8 6.8 1.0
O A:HOH330 5.0 9.7 1.0

Chlorine binding site 5 out of 16 in 4ml5

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Chlorine binding site 5 out of 16 in the One Minute 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 One Minute Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl218

b:14.2
occ:0.70
 O A:HOH436 2.9 17.9 1.0
O A:HOH373 3.0 14.6 1.0
O A:HOH402 3.1 15.2 1.0
O A:HOH614 3.2 29.4 1.0
CD A:ARG86 3.7 9.4 1.0
CZ3 A:TRP89 3.8 7.2 1.0
CB A:GLU85 3.9 12.0 1.0
CG A:ARG86 4.0 8.9 1.0
CH2 A:TRP89 4.3 7.3 1.0
O A:HOH324 4.4 9.9 1.0
CB A:ALA98 4.4 6.6 1.0
CG A:GLU85 4.7 13.4 0.6
CE3 A:TRP89 4.9 6.9 1.0
CB A:ARG86 5.0 8.2 1.0
O A:HOH376 5.0 13.6 1.0

Chlorine binding site 6 out of 16 in 4ml5

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Chlorine binding site 6 out of 16 in the One Minute 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 One Minute Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl219

b:14.1
occ:0.70
 O A:HOH500 2.7 22.6 1.0
OG1 A:THR105 3.1 7.8 1.0
O A:HOH324 3.1 9.9 1.0
O A:GLN101 3.6 7.5 1.0
CA A:LEU102 3.6 6.8 1.0
N A:LEU102 3.7 6.8 1.0
C A:GLN101 3.7 7.2 1.0
CG A:GLN101 3.7 9.3 0.5
CB A:THR105 3.8 7.2 1.0
O A:HOH443 3.9 16.8 1.0
O A:HOH639 4.0 35.9 1.0
CD A:GLN101 4.2 10.6 0.5
CB A:GLN101 4.2 8.2 0.5
CG2 A:THR105 4.3 7.9 1.0
CB A:GLN101 4.3 7.9 0.5
CB A:LEU102 4.4 6.9 1.0
CD1 A:LEU102 4.5 7.9 1.0
OE1 A:GLN101 4.6 13.4 0.5
CA A:GLN101 4.6 7.5 0.5
O A:HOH518 4.6 22.7 1.0
NE2 A:GLN101 4.6 12.1 0.5
CA A:GLN101 4.7 7.5 0.5
O A:HOH402 4.7 15.2 1.0
O A:HOH409 4.7 16.2 1.0
C A:LEU102 4.8 6.8 1.0
O A:HOH652 4.8 27.3 1.0
O A:LEU102 4.9 6.7 1.0

Chlorine binding site 7 out of 16 in 4ml5

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Chlorine binding site 7 out of 16 in the One Minute 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 One Minute Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl220

b:12.3
occ:0.25
 CE1 A:HIS169 3.7 11.8 1.0
ND1 A:HIS169 4.5 11.5 1.0
NE2 A:HIS169 4.6 10.6 1.0
O A:HOH584 4.8 30.8 1.0
O A:HOH524 4.9 25.2 1.0

Chlorine binding site 8 out of 16 in 4ml5

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Chlorine binding site 8 out of 16 in the One Minute 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 One Minute Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl221

b:7.6
occ:0.25
 NE2 A:HIS169 3.2 10.6 1.0
CD2 A:LEU165 3.9 7.8 1.0
CE1 A:HIS169 3.9 11.8 1.0
CD2 A:HIS169 4.2 9.9 1.0

Chlorine binding site 9 out of 16 in 4ml5

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Chlorine binding site 9 out of 16 in the One Minute 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 One Minute Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl222

b:9.8
occ:0.80
 O A:HOH543 3.0 26.7 1.0
O A:HOH493 3.1 21.8 1.0
O A:HOH595 3.2 25.2 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 7.0 1.0
CD A:ARG5 3.5 7.3 1.0
NE A:ARG5 3.6 7.5 1.0
CG A:ARG5 3.6 6.7 1.0
O A:HOH430 3.8 17.7 1.0
C A:GLN6 4.0 6.2 1.0
CA A:GLN6 4.0 6.4 1.0
C A:TYR8 4.1 6.5 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 6.3 1.0
C A:ASN7 4.2 6.3 1.0
O A:HOH481 4.3 24.3 1.0
C A:ARG5 4.3 6.7 1.0
CB A:TYR8 4.4 6.4 1.0
CB A:ARG5 4.5 6.7 1.0
O A:ARG5 4.5 7.1 1.0
O A:GLN6 4.8 6.1 1.0
CZ A:ARG5 4.9 7.5 1.0
CA A:ARG5 5.0 6.5 1.0

Chlorine binding site 10 out of 16 in 4ml5

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Chlorine binding site 10 out of 16 in the One Minute 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 One Minute Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl223

b:9.9
occ:0.70
 O A:HOH361 3.0 11.8 1.0
O A:HOH594 3.1 23.5 1.0
O A:HOH408 3.2 21.3 1.0
O A:HOH461 3.3 19.8 1.0
ND2 A:ASN17 3.3 6.0 1.0
CB A:ASN17 3.7 5.6 1.0
CA A:ALA14 4.0 6.2 1.0
CG A:ASN17 4.0 5.7 1.0
CB A:VAL77 4.0 7.2 1.0
O A:HOH588 4.0 28.6 1.0
CB A:ALA14 4.2 6.7 1.0
O A:ALA14 4.2 6.2 1.0
CG2 A:VAL77 4.3 7.6 1.0
CG1 A:VAL77 4.4 7.9 1.0
C A:ALA14 4.6 6.1 1.0
O A:HOH325 4.7 9.5 1.0
O A:HOH507 5.0 23.2 1.0
O A:HOH627 5.0 32.0 1.0

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 20:00:27 2024

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