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Chlorine in PDB 5n26: X-Ray Structure of Human Heavy Chain Ferritin in Complex with Cisplatin

Enzymatic activity of X-Ray Structure of Human Heavy Chain Ferritin in Complex with Cisplatin

All present enzymatic activity of X-Ray Structure of Human Heavy Chain Ferritin in Complex with Cisplatin:
1.16.3.1;

Protein crystallography data

The structure of X-Ray Structure of Human Heavy Chain Ferritin in Complex with Cisplatin, PDB code: 5n26 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) 105.69 / 2.05
Space group F 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 183.069, 183.069, 183.069, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 20.6

Other elements in 5n26:

The structure of X-Ray Structure of Human Heavy Chain Ferritin in Complex with Cisplatin also contains other interesting chemical elements:

Magnesium (Mg) 5 atoms
Platinum (Pt) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Human Heavy Chain Ferritin in Complex with Cisplatin (pdb code 5n26). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the X-Ray Structure of Human Heavy Chain Ferritin in Complex with Cisplatin, PDB code: 5n26:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 5n26

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Chlorine binding site 1 out of 8 in the X-Ray Structure of Human Heavy Chain Ferritin in Complex with Cisplatin


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 in Complex with Cisplatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:38.1
occ:0.40
 CL1 A:CPT203 0.0 38.1 0.4
PT1 A:CPT203 2.3 47.7 0.4
O A:HOH446 3.1 42.7 1.0
PT1 A:73M202 3.2 55.9 0.4
OD2 A:ASP89 3.3 66.8 1.0
O A:HOH468 3.7 35.8 1.0
CZ3 A:TRP93 3.8 31.4 1.0
CB A:ASP89 3.9 48.7 1.0
SG A:CYS102 4.0 37.7 1.0
CH2 A:TRP93 4.0 32.5 1.0
CG A:ASP89 4.1 57.0 1.0
CB A:CYS102 4.1 24.7 1.0
PT1 A:CPT204 4.4 56.2 0.2
ND1 A:HIS105 4.6 38.3 0.5
CL1 A:CPT204 4.8 33.1 0.2
PT1 A:CPT203 4.9 50.9 0.2

Chlorine binding site 2 out of 8 in 5n26

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Chlorine binding site 2 out of 8 in the X-Ray Structure of Human Heavy Chain Ferritin in Complex with Cisplatin


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 in Complex with Cisplatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:33.1
occ:0.25
 CL1 A:CPT204 0.0 33.1 0.2
PT1 A:CPT204 2.3 56.2 0.2
PT1 A:CPT203 2.8 47.7 0.4
SG A:CYS90 3.1 20.8 0.5
CB A:CYS90 3.4 34.1 0.5
ND2 A:ASN98 3.5 20.0 1.0
SG A:CYS90 3.6 42.5 0.5
CB A:CYS90 3.8 29.1 0.5
SG A:CYS102 3.9 37.7 1.0
CE3 A:TRP93 3.9 26.8 1.0
CZ3 A:TRP93 4.1 31.4 1.0
O A:ASP92 4.2 33.5 1.0
CG A:ASN98 4.5 21.0 1.0
OE2 A:GLU94 4.6 64.3 1.0
OD1 A:ASN98 4.7 26.5 1.0
CA A:TRP93 4.8 27.5 1.0
CL1 A:CPT203 4.8 38.1 0.4
CD2 A:TRP93 4.8 23.2 1.0
CA A:CYS90 4.9 40.1 0.5

Chlorine binding site 3 out of 8 in 5n26

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Chlorine binding site 3 out of 8 in the X-Ray Structure of Human Heavy Chain Ferritin in Complex with Cisplatin


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 in Complex with Cisplatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:16.6
occ:0.25
 NE2 A:HIS173 3.1 28.8 1.0
CE1 A:HIS173 3.7 33.4 1.0
CD2 A:LEU169 4.0 12.9 1.0
CD2 A:HIS173 4.3 27.9 1.0
ND1 A:HIS173 4.9 31.9 1.0

Chlorine binding site 4 out of 8 in 5n26

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Chlorine binding site 4 out of 8 in the X-Ray Structure of Human Heavy Chain Ferritin in Complex with Cisplatin


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 in Complex with Cisplatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:24.3
occ:1.00
 N A:TYR12 3.2 12.6 1.0
O A:HOH477 3.3 45.1 1.0
O A:TYR12 3.4 12.9 1.0
N A:ASN11 3.4 17.2 1.0
CG A:ARG9 3.7 16.0 1.0
O A:HOH439 3.7 24.1 1.0
CD A:ARG9 3.7 17.1 1.0
NE A:ARG9 3.7 17.3 1.0
C A:GLN10 3.9 16.9 1.0
C A:TYR12 4.0 13.1 1.0
CA A:GLN10 4.0 16.5 1.0
CA A:ASN11 4.1 14.9 1.0
CA A:TYR12 4.1 12.8 1.0
N A:GLN10 4.1 16.2 1.0
C A:ASN11 4.1 13.2 1.0
C A:ARG9 4.4 16.8 1.0
CB A:TYR12 4.4 12.3 1.0
CB A:ARG9 4.5 16.1 1.0
O A:ARG9 4.6 14.5 1.0
O A:GLN10 4.8 16.1 1.0
CZ A:ARG9 5.0 17.9 1.0

Chlorine binding site 5 out of 8 in 5n26

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Chlorine binding site 5 out of 8 in the X-Ray Structure of Human Heavy Chain Ferritin in Complex with Cisplatin


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 in Complex with Cisplatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:27.3
occ:1.00
 ND2 A:ASN139 3.3 16.2 1.0
CD A:LYS143 3.8 21.8 1.0
OD1 A:ASN139 4.1 14.8 1.0
CG A:ASN139 4.1 18.0 1.0
CG A:LYS143 4.2 18.2 1.0

Chlorine binding site 6 out of 8 in 5n26

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Chlorine binding site 6 out of 8 in the X-Ray Structure of Human Heavy Chain Ferritin in Complex with Cisplatin


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 in Complex with Cisplatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:32.1
occ:1.00
 N A:GLN14 3.1 16.0 1.0
CG A:GLN14 3.5 31.5 1.0
CA A:HIS13 3.7 15.6 1.0
O A:HOH490 3.7 45.5 1.0
CD2 A:HIS13 3.8 19.1 1.0
CG A:HIS13 3.8 17.3 1.0
C A:HIS13 3.8 16.4 1.0
ND1 A:HIS13 3.8 18.5 1.0
CB A:GLN14 3.9 23.4 1.0
O A:HOH477 3.9 45.1 1.0
NE2 A:HIS13 3.9 17.7 1.0
CE1 A:HIS13 3.9 18.2 1.0
CA A:GLN14 4.1 18.1 1.0
CD A:GLN14 4.1 39.5 1.0
CB A:HIS13 4.4 16.6 1.0
O A:TYR12 4.5 12.9 1.0
OE1 A:GLN14 4.5 43.3 1.0
NE2 A:GLN14 4.7 47.5 1.0
N A:HIS13 4.9 15.1 1.0

Chlorine binding site 7 out of 8 in 5n26

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Chlorine binding site 7 out of 8 in the X-Ray Structure of Human Heavy Chain Ferritin in Complex with Cisplatin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of X-Ray Structure of Human Heavy Chain Ferritin in Complex with Cisplatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl209

b:22.4
occ:0.20
 CE1 A:HIS173 3.9 33.4 1.0
ND1 A:HIS173 4.3 31.9 1.0

Chlorine binding site 8 out of 8 in 5n26

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Chlorine binding site 8 out of 8 in the X-Ray Structure of Human Heavy Chain Ferritin in Complex with Cisplatin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of X-Ray Structure of Human Heavy Chain Ferritin in Complex with Cisplatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl210

b:28.8
occ:1.00
 NE2 A:GLN83 2.9 36.0 1.0
N A:ASP84 3.1 13.2 1.0
OD1 A:ASP84 3.5 12.8 1.0
CG A:ASP84 3.6 13.3 1.0
CB A:GLN83 3.6 20.4 1.0
CA A:GLN83 3.7 17.4 1.0
CB A:ASP84 3.9 12.9 1.0
C A:GLN83 3.9 15.4 1.0
OD2 A:ASP84 3.9 13.5 1.0
CD A:GLN83 4.0 35.7 1.0
CA A:ASP84 4.1 13.2 1.0
CG A:GLN83 4.3 26.2 1.0
O A:HOH338 4.4 18.1 1.0
O A:HOH318 4.6 19.5 0.5
O A:HOH371 4.7 16.1 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: Wed Oct 28 12:52:27 2020

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