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Chlorine in PDB 5n27: X-Ray Structure of Human Heavy Chain Ferritin (Apo Form)

Enzymatic activity of X-Ray Structure of Human Heavy Chain Ferritin (Apo Form)

All present enzymatic activity of X-Ray Structure of Human Heavy Chain Ferritin (Apo Form):
1.16.3.1;

Protein crystallography data

The structure of X-Ray Structure of Human Heavy Chain Ferritin (Apo Form), PDB code: 5n27 was solved by G.Ferraro, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 105.63 / 1.74
Space group F 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 182.955, 182.955, 182.955, 90.00, 90.00, 90.00
R / Rfree (%) 14.6 / 19.1

Other elements in 5n27:

The structure of X-Ray Structure of Human Heavy Chain Ferritin (Apo Form) also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Human Heavy Chain Ferritin (Apo Form) (pdb code 5n27). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the X-Ray Structure of Human Heavy Chain Ferritin (Apo Form), PDB code: 5n27:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 5n27

Go back to Chlorine Binding Sites List in 5n27
Chlorine binding site 1 out of 6 in the X-Ray Structure of Human Heavy Chain Ferritin (Apo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Human Heavy Chain Ferritin (Apo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:17.1
occ:0.25
 NE2 A:HIS173 3.2 21.4 1.0
CE1 A:HIS173 3.9 29.4 1.0
CD2 A:LEU169 4.0 18.6 1.0
CD2 A:HIS173 4.3 20.4 1.0
CD1 A:LEU169 4.9 17.7 1.0

Chlorine binding site 2 out of 6 in 5n27

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Chlorine binding site 2 out of 6 in the X-Ray Structure of Human Heavy Chain Ferritin (Apo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Human Heavy Chain Ferritin (Apo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:23.3
occ:1.00
 O A:HOH530 2.9 53.8 1.0
O A:HOH540 3.2 41.4 1.0
O A:HOH502 3.3 46.8 1.0
N A:TYR12 3.3 14.0 1.0
O A:TYR12 3.4 14.5 1.0
N A:ASN11 3.5 15.6 1.0
NE A:ARG9 3.7 19.7 1.0
CG A:ARG9 3.7 17.5 1.0
CD A:ARG9 3.7 20.7 1.0
O A:HOH470 3.9 24.9 1.0
C A:GLN10 3.9 14.8 1.0
C A:TYR12 4.0 14.4 1.0
CA A:GLN10 4.0 15.2 1.0
O A:HOH600 4.1 52.6 1.0
CA A:TYR12 4.1 14.1 1.0
N A:GLN10 4.1 14.4 1.0
CA A:ASN11 4.1 15.3 1.0
C A:ASN11 4.2 13.9 1.0
C A:ARG9 4.4 16.2 1.0
CB A:TYR12 4.4 14.6 1.0
CB A:ARG9 4.5 15.7 1.0
O A:ARG9 4.6 15.8 1.0
O A:GLN10 4.8 13.7 1.0
CZ A:ARG9 4.9 19.1 1.0

Chlorine binding site 3 out of 6 in 5n27

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Chlorine binding site 3 out of 6 in the X-Ray Structure of Human Heavy Chain Ferritin (Apo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of Human Heavy Chain Ferritin (Apo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:26.6
occ:1.00
 ND2 A:ASN139 3.3 18.1 1.0
O A:HOH499 3.6 36.9 1.0
CD A:LYS143 3.8 24.3 1.0
O A:HOH366 3.9 22.9 1.0
OD1 A:ASN139 4.1 17.2 1.0
CG A:ASN139 4.1 19.2 1.0
CG A:LYS143 4.1 19.6 1.0
CE A:LYS143 4.9 31.2 1.0

Chlorine binding site 4 out of 6 in 5n27

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Chlorine binding site 4 out of 6 in the X-Ray Structure of Human Heavy Chain Ferritin (Apo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of Human Heavy Chain Ferritin (Apo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:31.2
occ:1.00
 O A:HOH502 3.0 46.8 1.0
N A:GLN14 3.2 16.5 0.5
CG A:GLN14 3.2 23.2 0.5
N A:GLN14 3.2 15.9 0.5
O A:HOH478 3.3 51.1 1.0
CG A:GLN14 3.6 20.0 0.5
CD2 A:HIS13 3.8 18.7 1.0
CG A:HIS13 3.8 17.6 1.0
CA A:HIS13 3.8 15.7 1.0
CB A:GLN14 3.9 19.1 0.5
NE2 A:HIS13 3.9 19.3 1.0
CB A:GLN14 3.9 17.2 0.5
CE1 A:HIS13 3.9 19.5 1.0
O A:HOH540 3.9 41.4 1.0
ND1 A:HIS13 3.9 18.1 1.0
C A:HIS13 4.0 16.0 1.0
O A:HOH308 4.1 40.8 1.0
CA A:GLN14 4.1 17.4 0.5
CA A:GLN14 4.1 16.4 0.5
CD A:GLN14 4.2 23.7 0.5
OE1 A:GLN14 4.2 28.0 0.5
CB A:HIS13 4.4 16.0 1.0
CD A:GLN14 4.4 29.2 0.5
O A:TYR12 4.6 14.5 1.0
NE2 A:GLN14 4.9 33.0 0.5
N A:HIS13 5.0 14.2 1.0

Chlorine binding site 5 out of 6 in 5n27

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Chlorine binding site 5 out of 6 in the X-Ray Structure of Human Heavy Chain Ferritin (Apo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Structure of Human Heavy Chain Ferritin (Apo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:17.4
occ:0.15
 CE1 A:HIS173 3.7 29.4 1.0
ND1 A:HIS173 4.4 25.8 1.0
NE2 A:HIS173 4.6 21.4 1.0
O A:HOH562 4.7 52.0 1.0

Chlorine binding site 6 out of 6 in 5n27

Go back to Chlorine Binding Sites List in 5n27
Chlorine binding site 6 out of 6 in the X-Ray Structure of Human Heavy Chain Ferritin (Apo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Structure of Human Heavy Chain Ferritin (Apo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:26.5
occ:1.00
 NE2 A:GLN83 2.7 26.8 1.0
N A:ASP84 3.1 13.7 1.0
OD1 A:ASP84 3.5 14.4 1.0
CG A:ASP84 3.5 15.4 1.0
CB A:GLN83 3.7 16.9 1.0
CA A:GLN83 3.7 15.0 1.0
CD A:GLN83 3.9 30.4 1.0
OD2 A:ASP84 3.9 15.0 1.0
C A:GLN83 3.9 13.2 1.0
CB A:ASP84 4.0 13.0 1.0
O A:HOH526 4.1 53.8 1.0
CA A:ASP84 4.1 12.3 1.0
CG A:GLN83 4.3 21.7 1.0
O A:HOH322 4.4 17.2 1.0
O A:HOH312 4.6 18.4 0.5
O A:HOH358 4.9 17.8 1.0
OE1 A:GLN83 4.9 38.1 1.0

Reference:

G.Ferraro, S.Ciambellotti, L.Messori, A.Merlino. Cisplatin Binding Sites in Human H-Chain Ferritin. Inorg Chem V. 56 9064 2017.
ISSN: ISSN 1520-510X
PubMed: 28737381
DOI: 10.1021/ACS.INORGCHEM.7B01072
Page generated: Sat Dec 12 12:08:20 2020

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