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Chlorine in PDB 3se1: Frog M-Ferritin with Magnesium, R72D Mutant

Enzymatic activity of Frog M-Ferritin with Magnesium, R72D Mutant

All present enzymatic activity of Frog M-Ferritin with Magnesium, R72D Mutant:
1.16.3.1;

Protein crystallography data

The structure of Frog M-Ferritin with Magnesium, R72D Mutant, PDB code: 3se1 was solved by T.Tosha, H.L.Ng, T.Alber, E.C.Theil, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 91.67 / 1.65
Space group F 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 183.560, 183.560, 183.560, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 20.3

Other elements in 3se1:

The structure of Frog M-Ferritin with Magnesium, R72D Mutant also contains other interesting chemical elements:

Magnesium (Mg) 9 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Frog M-Ferritin with Magnesium, R72D Mutant (pdb code 3se1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Frog M-Ferritin with Magnesium, R72D Mutant, PDB code: 3se1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 3se1

Go back to Chlorine Binding Sites List in 3se1
Chlorine binding site 1 out of 9 in the Frog M-Ferritin with Magnesium, R72D Mutant


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 with Magnesium, R72D Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl180

b:20.9
occ:1.00
 O A:HOH409 2.7 35.0 1.0
N A:ASP87 3.1 11.2 1.0
O A:HOH251 3.1 29.0 1.0
O A:HOH274 3.4 35.6 1.0
N A:GLU88 3.7 9.2 1.0
CA A:ARG86 3.8 9.7 1.0
CB A:ARG86 3.9 11.4 1.0
CA A:ASP87 3.9 10.6 1.0
C A:ARG86 3.9 10.0 1.0
CB A:ASP87 4.0 10.6 1.0
O A:HOH250 4.1 41.5 1.0
O A:GLU88 4.1 10.7 1.0
CG A:GLU88 4.1 12.4 1.0
C A:ASP87 4.3 11.6 1.0
CG A:ARG86 4.3 11.2 1.0
OE2 A:GLU88 4.6 27.1 1.0
CA A:GLU88 4.6 10.2 1.0
O A:HOH421 4.6 36.0 1.0
NE A:ARG86 4.6 19.8 1.0
CG A:ASP87 4.7 16.1 1.0
OD2 A:ASP87 4.7 15.2 1.0
C A:GLU88 4.8 11.4 1.0
CB A:GLU88 4.8 12.4 1.0

Chlorine binding site 2 out of 9 in 3se1

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Chlorine binding site 2 out of 9 in the Frog M-Ferritin with Magnesium, R72D Mutant


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 with Magnesium, R72D Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl185

b:19.8
occ:1.00
 O A:HOH430 3.0 24.1 1.0
NE2 A:GLN108 3.3 11.3 0.5
ND2 A:ASN107 3.4 10.9 1.0
O A:HOH280 3.6 45.8 1.0
CG A:LYS104 3.8 9.2 1.0
CB A:LYS104 3.8 7.9 1.0
O A:LYS104 3.9 7.4 1.0
CB A:ASN107 3.9 6.8 1.0
CA A:LYS104 3.9 8.7 1.0
CG A:GLN108 4.0 5.8 0.5
CG A:ASN107 4.1 10.8 1.0
CD A:GLN108 4.1 10.8 0.5
O A:HOH362 4.3 20.3 1.0
C A:LYS104 4.4 9.3 1.0
CD1 A:ILE141 4.4 7.9 1.0
CD A:LYS104 4.5 19.1 1.0
N A:GLN108 4.8 6.6 1.0
CE A:LYS104 4.9 26.1 1.0

Chlorine binding site 3 out of 9 in 3se1

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Chlorine binding site 3 out of 9 in the Frog M-Ferritin with Magnesium, R72D Mutant


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 with Magnesium, R72D Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl186

b:5.1
occ:0.25
 NE2 A:HIS169 3.1 6.0 1.0
CE1 A:HIS169 3.9 6.2 1.0
CD2 A:LEU165 3.9 11.2 1.0
CD2 A:HIS169 4.3 5.5 1.0
CL A:CL189 4.9 3.9 0.2

Chlorine binding site 4 out of 9 in 3se1

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Chlorine binding site 4 out of 9 in the Frog M-Ferritin with Magnesium, R72D Mutant


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 with Magnesium, R72D Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl187

b:24.4
occ:1.00
 OG A:SER10 3.2 29.9 1.0
N A:CYS12 3.2 17.0 1.0
O A:HOH339 3.6 21.6 1.0
CG A:LYS120 3.7 13.2 1.0
N A:ASP11 3.7 27.8 1.0
SG A:CYS12 3.8 16.9 1.0
CB A:CYS12 3.9 15.1 1.0
CE A:LYS120 3.9 22.8 1.0
CD A:LYS120 4.0 21.0 1.0
CA A:CYS12 4.1 14.9 1.0
C A:ASP11 4.2 19.8 1.0
CB A:SER10 4.2 35.0 1.0
CA A:ASP11 4.3 23.9 1.0
CB A:LYS120 4.3 11.2 1.0
C A:SER10 4.4 30.2 1.0
NZ A:LYS120 4.4 28.6 1.0
CA A:SER10 4.5 34.1 1.0
CB A:ASP11 4.6 26.2 1.0
CG A:ASP11 4.9 34.4 1.0

Chlorine binding site 5 out of 9 in 3se1

Go back to Chlorine Binding Sites List in 3se1
Chlorine binding site 5 out of 9 in the Frog M-Ferritin with Magnesium, R72D Mutant


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 with Magnesium, R72D Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl188

b:50.3
occ:1.00
 NH2 A:ARG18 3.2 22.7 1.0
NH1 A:ARG18 3.3 25.2 1.0
O A:HOH389 3.6 31.9 1.0
O A:HOH211 3.7 31.1 1.0
CZ A:ARG18 3.7 20.9 1.0
CB A:ALA14 3.8 10.5 1.0
CB A:ASP11 3.8 26.2 1.0
O A:ASP11 3.9 13.0 1.0
CA A:ASP11 4.0 23.9 1.0
O A:HOH202 4.4 28.3 1.0
CG A:ASP11 4.5 34.4 1.0
C A:ASP11 4.5 19.8 1.0
OD1 A:ASP11 4.5 43.6 1.0
N A:ALA15 5.0 7.7 1.0

Chlorine binding site 6 out of 9 in 3se1

Go back to Chlorine Binding Sites List in 3se1
Chlorine binding site 6 out of 9 in the Frog M-Ferritin with Magnesium, R72D Mutant


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 with Magnesium, R72D Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl189

b:3.9
occ:0.25
 O A:HOH257 3.7 46.3 1.0
CE1 A:HIS169 4.1 6.2 1.0
NE2 A:HIS169 4.8 6.0 1.0
ND1 A:HIS169 4.9 8.1 1.0
CL A:CL186 4.9 5.1 0.2

Chlorine binding site 7 out of 9 in 3se1

Go back to Chlorine Binding Sites List in 3se1
Chlorine binding site 7 out of 9 in the Frog M-Ferritin with Magnesium, R72D Mutant


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 with Magnesium, R72D Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl190

b:36.2
occ:1.00
 CB A:ASN21 3.7 5.5 1.0
O A:HOH397 3.7 36.0 1.0
CG A:GLN79 3.8 9.8 1.0
CG A:ASN21 3.9 6.3 1.0
OD1 A:ASN21 4.0 7.3 1.0
CG A:ARG18 4.0 15.1 1.0
CB A:GLN79 4.1 7.2 1.0
CA A:ARG18 4.1 6.5 1.0
CB A:ARG18 4.4 8.2 1.0
ND2 A:ASN21 4.4 5.7 1.0
O A:ARG18 4.7 6.5 1.0
O A:ASN17 4.7 7.8 1.0
O A:HOH302 4.7 12.8 1.0
O A:HOH337 4.7 18.6 1.0
N A:ARG18 4.9 5.2 1.0
C A:ARG18 4.9 5.6 1.0
CD A:ARG18 4.9 20.8 1.0
O A:HOH363 4.9 25.1 1.0

Chlorine binding site 8 out of 9 in 3se1

Go back to Chlorine Binding Sites List in 3se1
Chlorine binding site 8 out of 9 in the Frog M-Ferritin with Magnesium, R72D Mutant


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 with Magnesium, R72D Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl191

b:20.4
occ:1.00
 OG A:SER170 2.8 10.7 1.0
O A:HOH263 2.8 16.7 1.0
O A:HOH236 3.2 6.8 1.0
O A:HOH199 3.3 33.4 1.0
CG A:ASN150 3.4 4.2 1.0
ND2 A:ASN150 3.5 5.0 1.0
CB A:SER170 3.6 10.3 1.0
CB A:ASN150 3.7 6.8 1.0
CD1 A:PHE147 3.9 10.1 1.0
OD1 A:ASN150 4.1 7.3 1.0
CE1 A:PHE147 4.1 15.3 1.0
CE1 A:PHE166 4.3 9.8 1.0
CA A:SER170 4.4 9.9 1.0
CD1 A:PHE166 4.8 8.4 1.0
O A:ASP146 4.9 7.0 1.0
CA A:PHE147 4.9 6.6 1.0

Chlorine binding site 9 out of 9 in 3se1

Go back to Chlorine Binding Sites List in 3se1
Chlorine binding site 9 out of 9 in the Frog M-Ferritin with Magnesium, R72D Mutant


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 with Magnesium, R72D Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl192

b:55.8
occ:1.00
 NZ A:LYS64 3.0 32.9 1.0
CD2 A:HIS61 3.3 29.8 1.0
CE A:LYS64 3.3 34.4 1.0
NE2 A:HIS61 3.6 37.5 1.0
O A:HOH254 3.8 41.5 1.0
CB A:GLU60 4.0 13.6 1.0
CD A:LYS64 4.2 27.2 1.0
CG A:LYS64 4.2 21.1 1.0
C A:GLU60 4.3 9.4 1.0
O A:GLU60 4.4 10.8 1.0
N A:HIS61 4.4 10.5 1.0
CG A:HIS61 4.5 20.0 1.0
OE1 A:GLU60 4.5 34.8 1.0
O A:HOH253 4.5 27.9 1.0
CA A:HIS61 4.7 11.1 1.0
CE1 A:HIS61 4.8 35.2 1.0
CA A:GLU60 4.8 11.6 1.0

Reference:

T.Tosha, H.L.Ng, T.Alber, E.C.Theil. Frog M-Ferritin with Magnesium, R72D Mutant To Be Published.
Page generated: Sun Jul 21 04:23:31 2024

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