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Chlorine in PDB 7ck9: Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain

Enzymatic activity of Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain

All present enzymatic activity of Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain:
1.16.3.1;

Protein crystallography data

The structure of Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain, PDB code: 7ck9 was solved by X.Chen, B.Jiang, X.Yan, K.Fan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.94 / 1.60
Space group F 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 183.207, 183.207, 183.207, 90, 90, 90
R / Rfree (%) 14.9 / 16.9

Other elements in 7ck9:

The structure of Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain (pdb code 7ck9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain, PDB code: 7ck9:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7ck9

Go back to Chlorine Binding Sites List in 7ck9
Chlorine binding site 1 out of 4 in the Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain


Mono view


Stereo pair view

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

b:16.9
occ:0.25
 NE2 A:HIS173 3.1 26.0 1.0
CE1 A:HIS173 3.9 51.9 1.0
CD2 A:LEU169 4.0 16.8 1.0
CD2 A:HIS173 4.2 16.6 1.0
CD1 A:LEU169 4.9 18.1 1.0

Chlorine binding site 2 out of 4 in 7ck9

Go back to Chlorine Binding Sites List in 7ck9
Chlorine binding site 2 out of 4 in the Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain


Mono view


Stereo pair view

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

b:72.7
occ:1.00
 O A:HOH372 2.6 38.3 1.0
O A:HOH571 2.8 69.4 1.0
O A:HOH493 3.6 69.0 1.0
NZ A:LYS157 4.0 33.7 1.0
CD A:LYS157 4.3 48.1 1.0
CG A:LYS157 4.5 32.7 1.0
CB A:LYS157 4.5 20.7 1.0
O A:LYS157 4.5 25.4 1.0
CA A:LYS157 4.8 18.0 1.0
CE A:LYS157 4.8 30.9 1.0
O A:HOH594 4.9 83.1 1.0

Chlorine binding site 3 out of 4 in 7ck9

Go back to Chlorine Binding Sites List in 7ck9
Chlorine binding site 3 out of 4 in the Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain


Mono view


Stereo pair view

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

b:91.3
occ:1.00
 O A:HOH349 2.7 35.0 1.0
O A:HOH577 4.2 51.3 1.0
O A:HOH475 4.3 38.2 1.0
O A:MET158 4.9 21.3 1.0

Chlorine binding site 4 out of 4 in 7ck9

Go back to Chlorine Binding Sites List in 7ck9
Chlorine binding site 4 out of 4 in the Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain


Mono view


Stereo pair view

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

b:32.4
occ:1.00
 O A:HOH487 3.0 47.9 1.0
O A:HOH562 3.0 56.9 1.0
N A:GLN14 3.2 17.3 1.0
CG A:GLN14 3.6 21.6 0.6
CD2 A:HIS13 3.7 22.7 1.0
CG A:HIS13 3.8 16.8 1.0
CA A:HIS13 3.8 16.2 1.0
NE2 A:HIS13 3.8 20.5 1.0
CG A:GLN14 3.8 24.6 0.5
O A:HOH514 3.8 41.1 1.0
NE2 A:GLN14 3.9 35.9 0.5
CB A:GLN14 3.9 22.1 0.6
CB A:GLN14 3.9 22.1 0.5
ND1 A:HIS13 3.9 18.6 1.0
CE1 A:HIS13 4.0 21.0 1.0
C A:HIS13 4.0 18.1 1.0
O A:HOH508 4.2 47.2 1.0
CA A:GLN14 4.2 16.7 0.6
CA A:GLN14 4.2 16.9 0.5
CB A:HIS13 4.4 16.1 1.0
CD A:GLN14 4.4 31.6 0.5
O A:TYR12 4.5 17.2 1.0
CD A:GLN14 4.6 41.9 0.6
OE1 A:GLN14 4.9 36.7 0.6
N A:HIS13 4.9 15.6 1.0

Reference:

B.Jiang, X.Chen, G.Sun, X.Chen, Y.Yin, Y.Jin, Q.Mi, L.Ma, Y.Yang, X.Yan, K.Fan. A Natural Drug Entry Channel in the Ferritin Nanocage. Nano Today V. 35 2020.
ISSN: ISSN 1878-044X
DOI: 10.1016/J.NANTOD.2020.100948
Page generated: Mon Jul 29 19:42:40 2024

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