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Chlorine in PDB 4mku: Frog M Ferritin Mutant H54Q

Enzymatic activity of Frog M Ferritin Mutant H54Q

All present enzymatic activity of Frog M Ferritin Mutant H54Q:
1.16.3.1;

Protein crystallography data

The structure of Frog M Ferritin Mutant H54Q, PDB code: 4mku 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) 20.64 / 1.30
Space group F 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 184.580, 184.580, 184.580, 90.00, 90.00, 90.00
R / Rfree (%) 12.3 / 13.9

Other elements in 4mku:

The structure of Frog M Ferritin Mutant H54Q also contains other interesting chemical elements:

Magnesium (Mg) 11 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Frog M Ferritin Mutant H54Q (pdb code 4mku). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Frog M Ferritin Mutant H54Q, PDB code: 4mku:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in 4mku

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Chlorine binding site 1 out of 13 in the 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 Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl212

b:7.2
occ:0.25
 NE2 A:HIS169 3.2 10.7 1.0
CD2 A:LEU165 3.9 8.2 1.0
CE1 A:HIS169 3.9 14.1 1.0
CD2 A:HIS169 4.2 8.9 1.0

Chlorine binding site 2 out of 13 in 4mku

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Chlorine binding site 2 out of 13 in the 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 Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl213

b:11.8
occ:0.25
 CE1 A:HIS169 3.7 14.1 1.0
ND1 A:HIS169 4.5 12.3 1.0
NE2 A:HIS169 4.6 10.7 1.0
O A:HOH626 4.8 19.4 0.5
O A:HOH518 4.9 23.9 1.0

Chlorine binding site 3 out of 13 in 4mku

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Chlorine binding site 3 out of 13 in the 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 Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl214

b:16.1
occ:0.70
 O A:HOH514 2.8 26.1 1.0
N A:ASP87 3.1 7.7 1.0
O A:HOH557 3.1 28.0 1.0
N A:GLU88 3.7 7.3 1.0
CA A:ARG86 3.7 7.6 1.0
CB A:ARG86 3.8 7.7 1.0
C A:ARG86 3.9 7.4 1.0
CA A:ASP87 3.9 8.0 1.0
CB A:ASP87 4.0 9.0 1.0
CG A:GLU88 4.1 11.1 1.0
O A:GLU88 4.1 7.7 1.0
O A:HOH531 4.2 17.6 0.5
O A:HOH606 4.2 31.4 1.0
CG A:ARG86 4.2 8.4 1.0
C A:ASP87 4.3 7.9 1.0
OE2 A:GLU88 4.5 16.3 1.0
O A:HOH661 4.6 39.4 1.0
CG A:ASP87 4.6 9.9 1.0
OD2 A:ASP87 4.6 13.0 1.0
NE A:ARG86 4.7 10.2 1.0
CA A:GLU88 4.7 7.6 1.0
O A:HOH526 4.8 25.8 1.0
CD A:GLU88 4.8 12.4 1.0
CB A:GLU88 4.8 9.4 1.0
C A:GLU88 4.8 6.9 1.0

Chlorine binding site 4 out of 13 in 4mku

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Chlorine binding site 4 out of 13 in the 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 Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl215

b:14.9
occ:0.70
 O A:HOH498 2.7 22.7 1.0
OG1 A:THR105 3.1 7.8 1.0
O A:HOH329 3.1 10.2 1.0
CG A:GLN101 3.4 11.9 0.3
O A:GLN101 3.6 7.2 1.0
CA A:LEU102 3.6 6.3 1.0
O A:HOH668 3.6 24.6 0.5
C A:GLN101 3.7 7.4 1.0
N A:LEU102 3.7 6.6 1.0
CB A:THR105 3.8 7.1 1.0
O A:HOH414 4.0 17.5 1.0
CD A:GLN101 4.0 13.5 0.3
CB A:GLN101 4.2 10.0 0.3
CB A:GLN101 4.3 10.2 0.7
CG2 A:THR105 4.4 7.8 1.0
CB A:LEU102 4.4 6.7 1.0
OE1 A:GLN101 4.4 15.7 0.3
CD1 A:LEU102 4.5 8.0 1.0
CA A:GLN101 4.6 8.3 0.3
CA A:GLN101 4.6 8.3 0.7
O A:HOH525 4.7 23.8 1.0
O A:HOH388 4.7 14.8 1.0
O A:HOH629 4.7 12.8 0.5
NE2 A:GLN101 4.7 14.0 0.3
C A:LEU102 4.7 6.1 1.0
O A:HOH432 4.9 18.2 1.0
O A:LEU102 4.9 6.4 1.0

Chlorine binding site 5 out of 13 in 4mku

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Chlorine binding site 5 out of 13 in the 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 Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl216

b:17.7
occ:0.60
 CL A:CL224 2.7 17.1 0.7
OG A:SER170 2.7 9.3 1.0
O A:HOH315 3.0 7.6 1.0
O A:HOH640 3.4 37.0 1.0
O A:HOH573 3.4 26.5 1.0
CB A:SER170 3.4 8.7 1.0
ND2 A:ASN150 3.7 6.1 1.0
CG A:ASN150 3.7 5.7 1.0
CA A:SER170 4.0 8.4 1.0
CB A:ASN150 4.1 5.7 1.0
OD1 A:ASN150 4.2 5.9 1.0
O A:HOH408 4.2 15.6 1.0
CD1 A:PHE147 4.4 9.2 1.0
CE1 A:PHE147 4.5 10.8 1.0
O A:SER170 4.9 11.9 1.0
CE2 A:PHE166 4.9 7.6 1.0
C A:SER170 4.9 9.3 1.0

Chlorine binding site 6 out of 13 in 4mku

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Chlorine binding site 6 out of 13 in the 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 Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl217

b:14.1
occ:0.70
 NZ A:LYS82 2.8 8.4 0.5
NZ A:LYS82 3.1 9.4 0.5
O A:HOH578 3.4 29.6 1.0
CE A:LYS82 3.4 8.4 0.5
CE A:LYS82 3.4 9.0 0.5
O A:HOH463 3.8 21.3 1.0
O A:HOH442 4.9 19.1 1.0
CD A:LYS82 4.9 8.0 0.5
CD A:LYS82 5.0 8.4 0.5

Chlorine binding site 7 out of 13 in 4mku

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Chlorine binding site 7 out of 13 in the 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 Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl218

b:12.7
occ:1.00
 O A:HOH582 2.9 29.5 1.0
O A:HOH489 3.1 23.9 1.0
O A:HOH591 3.2 31.8 1.0
N A:TYR8 3.3 6.1 1.0
N A:ASN7 3.4 6.0 1.0
CD A:ARG5 3.5 7.2 1.0
O A:TYR8 3.5 6.9 1.0
NE A:ARG5 3.6 7.4 1.0
CG A:ARG5 3.6 6.7 1.0
O A:HOH430 3.8 20.5 1.0
C A:GLN6 3.9 6.0 1.0
CA A:GLN6 4.0 6.1 1.0
C A:TYR8 4.0 6.1 1.0
N A:GLN6 4.1 6.0 1.0
CA A:ASN7 4.1 6.2 1.0
CA A:TYR8 4.1 6.1 1.0
C A:ASN7 4.1 6.1 1.0
C A:ARG5 4.3 6.4 1.0
O A:HOH657 4.3 24.8 1.0
CB A:TYR8 4.4 6.3 1.0
CB A:ARG5 4.4 6.7 1.0
O A:ARG5 4.5 7.3 1.0
O A:GLN6 4.8 6.1 1.0
CZ A:ARG5 4.8 7.4 1.0
CA A:ARG5 5.0 6.3 1.0

Chlorine binding site 8 out of 13 in 4mku

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Chlorine binding site 8 out of 13 in the 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 Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl219

b:13.8
occ:0.70
 O A:HOH406 3.1 17.8 1.0
NZ A:LYS115 3.1 12.9 0.5
NE2 A:GLN108 3.1 9.9 1.0
CE A:LYS115 3.6 12.7 0.5
CD A:GLN108 4.0 9.3 1.0
OE1 A:GLN108 4.0 11.7 1.0
NZ A:LYS115 4.1 16.8 0.4
O A:HOH549 4.1 28.1 1.0
O A:HOH617 4.1 36.5 1.0
CD1 A:LEU111 4.2 8.1 1.0
CB A:LEU111 4.2 6.5 1.0
OD1 A:ASP112 4.7 9.8 1.0
CG A:LEU111 4.8 7.2 1.0
CE A:LYS115 5.0 16.0 0.4
O A:HOH335 5.0 9.2 1.0

Chlorine binding site 9 out of 13 in 4mku

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Chlorine binding site 9 out of 13 in the 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 Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl220

b:19.7
occ:0.80
 O A:HOH579 3.0 34.0 1.0
N A:SER10 3.0 7.0 1.0
O A:HOH562 3.1 33.5 1.0
O A:HOH488 3.2 33.6 1.0
CB A:SER10 3.6 8.2 1.0
CA A:HIS9 3.7 7.0 1.0
CD2 A:HIS9 3.8 9.1 1.0
CG A:HIS9 3.8 8.1 1.0
O A:HOH489 3.8 23.9 1.0
C A:HIS9 3.9 6.7 1.0
ND1 A:HIS9 3.9 8.0 1.0
NE2 A:HIS9 3.9 9.8 1.0
CA A:SER10 3.9 7.2 1.0
CE1 A:HIS9 4.0 8.6 1.0
O A:TYR8 4.3 6.9 1.0
CB A:HIS9 4.4 6.9 1.0
O A:HOH591 4.8 31.8 1.0
N A:HIS9 4.8 6.3 1.0
O A:HOH586 4.9 31.8 1.0
O A:HOH537 4.9 29.8 1.0
OG A:SER10 4.9 8.7 0.8
NH1 A:ARG5 5.0 7.3 1.0

Chlorine binding site 10 out of 13 in 4mku

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Chlorine binding site 10 out of 13 in the 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 Frog M Ferritin Mutant H54Q within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl221

b:13.1
occ:0.70
 O A:HOH581 3.1 28.3 1.0
N A:GLU136 3.2 8.0 1.0
C A:GLU132 3.3 7.9 1.0
N A:TYR133 3.4 6.4 1.0
O A:HOH546 3.4 17.0 0.5
N A:GLU135 3.4 7.3 1.0
O A:SER131 3.6 10.5 1.0
CB A:GLU135 3.6 8.8 1.0
O A:GLU132 3.7 9.8 1.0
C A:TYR133 3.8 6.4 1.0
CA A:GLU135 3.8 7.8 1.0
CA A:GLU132 3.8 8.4 1.0
C A:SER131 3.8 8.6 1.0
N A:GLU132 3.9 8.4 1.0
N A:LEU134 3.9 6.4 1.0
CA A:TYR133 3.9 6.4 1.0
C A:GLU135 3.9 7.7 1.0
O A:HOH545 4.0 24.4 1.0
CB A:GLU136 4.1 10.0 1.0
O A:GLU130 4.1 10.1 1.0
O A:TYR133 4.2 7.0 1.0
CA A:GLU136 4.2 8.6 1.0
CG A:GLU135 4.4 9.4 1.0
C A:LEU134 4.4 6.7 1.0
CA A:LEU134 4.7 6.5 1.0
O A:HOH676 4.8 18.4 0.5
CA A:SER131 4.8 9.6 0.6
CA A:SER131 4.8 8.3 0.4
C A:GLU130 4.9 8.3 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 19:58:45 2024

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