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Chlorine in PDB 7ck8: Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S

Enzymatic activity of Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S

All present enzymatic activity of Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S:
1.16.3.1;

Protein crystallography data

The structure of Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S, PDB code: 7ck8 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) 28.98 / 1.80
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 182.91, 183.272, 183.183, 90, 90, 90
R / Rfree (%) 19.2 / 22.3

Other elements in 7ck8:

The structure of Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S also contains other interesting chemical elements:

Iron (Fe) 1 atom
Magnesium (Mg) 29 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 45;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S (pdb code 7ck8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 45 binding sites of Chlorine where determined in the Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S, PDB code: 7ck8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 45 in 7ck8

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Chlorine binding site 1 out of 45 in the Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S


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 Human Ferritin Heavy Chain Mutant C90S/C102S/C130S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:25.2
occ:1.00
 O A:HOH515 3.0 38.5 1.0
N A:TYR12 3.2 16.2 1.0
N A:ASN11 3.4 16.3 1.0
O A:TYR12 3.4 17.2 1.0
CD A:ARG9 3.5 19.3 1.0
NE A:ARG9 3.6 15.4 1.0
O A:HOH481 3.6 34.8 1.0
CG A:ARG9 3.6 15.0 1.0
O A:HOH474 3.8 27.9 1.0
C A:GLN10 3.9 16.5 1.0
C A:TYR12 4.0 14.9 1.0
CA A:TYR12 4.0 13.7 1.0
CA A:ASN11 4.1 14.7 1.0
O A:HOH568 4.1 46.8 1.0
CA A:GLN10 4.1 14.2 1.0
C A:ASN11 4.1 14.9 1.0
N A:GLN10 4.2 12.2 1.0
CB A:TYR12 4.3 14.3 1.0
C A:ARG9 4.4 17.2 1.0
CB A:ARG9 4.6 14.6 1.0
O A:ARG9 4.7 17.7 1.0
O A:GLN10 4.8 15.0 1.0
CZ A:ARG9 4.8 17.8 1.0

Chlorine binding site 2 out of 45 in 7ck8

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Chlorine binding site 2 out of 45 in the Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S


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 Human Ferritin Heavy Chain Mutant C90S/C102S/C130S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:31.5
occ:1.00
 O A:HOH481 2.8 34.8 1.0
N A:GLN14 3.1 16.4 1.0
CG A:GLN14 3.2 23.5 0.5
CG A:GLN14 3.6 20.9 0.5
CG A:HIS13 3.8 18.2 1.0
O A:HOH446 3.8 38.6 1.0
CA A:HIS13 3.8 15.2 1.0
CD2 A:HIS13 3.8 19.9 1.0
CB A:GLN14 3.8 21.8 0.5
CB A:GLN14 3.9 21.9 0.5
ND1 A:HIS13 3.9 18.6 1.0
O A:HOH515 3.9 38.5 1.0
NE2 A:HIS13 3.9 20.2 1.0
C A:HIS13 3.9 17.6 1.0
CE1 A:HIS13 3.9 21.7 1.0
CA A:GLN14 4.1 16.6 0.5
CA A:GLN14 4.1 16.6 0.5
CD A:GLN14 4.3 28.0 0.5
OE1 A:GLN14 4.4 28.4 0.5
CB A:HIS13 4.4 16.1 1.0
CD A:GLN14 4.5 30.2 0.5
O A:TYR12 4.5 17.2 1.0
N A:HIS13 5.0 15.3 1.0

Chlorine binding site 3 out of 45 in 7ck8

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Chlorine binding site 3 out of 45 in the Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S


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 Human Ferritin Heavy Chain Mutant C90S/C102S/C130S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:22.0
occ:1.00
 N A:ASP91 3.1 16.9 1.0
N A:ASP92 3.3 15.7 1.0
O A:HOH330 3.4 37.2 1.0
O A:HOH360 3.5 36.5 1.0
O A:HOH339 3.9 35.6 1.0
CA A:SER90 3.9 17.0 1.0
CA A:ASP91 3.9 16.1 1.0
O A:ASP92 4.0 18.3 1.0
C A:SER90 4.0 16.1 1.0
CB A:ASP91 4.0 17.3 1.0
CB A:SER90 4.1 17.8 1.0
CB A:ASP92 4.1 17.3 1.0
C A:ASP91 4.2 16.6 1.0
CA A:ASP92 4.2 15.0 1.0
OD2 A:ASP91 4.4 21.0 1.0
OG A:SER90 4.5 17.9 1.0
O A:HOH581 4.5 34.5 1.0
C A:ASP92 4.5 16.3 1.0
CG A:ASP91 4.5 23.8 1.0
O A:HOH477 4.9 45.4 1.0

Chlorine binding site 4 out of 45 in 7ck8

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Chlorine binding site 4 out of 45 in the Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S


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 Human Ferritin Heavy Chain Mutant C90S/C102S/C130S within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:21.7
occ:1.00
 N B:ASP91 3.1 17.4 1.0
N B:ASP92 3.4 16.5 1.0
O B:HOH314 3.4 35.7 1.0
CA B:SER90 3.9 17.0 1.0
CA B:ASP91 3.9 16.9 1.0
O B:ASP92 4.0 17.6 1.0
C B:SER90 4.0 18.5 1.0
CB B:ASP92 4.0 17.7 1.0
CB B:ASP91 4.0 17.6 1.0
CB B:SER90 4.0 16.7 1.0
C B:ASP91 4.2 17.5 1.0
O B:HOH321 4.2 38.9 1.0
CA B:ASP92 4.2 15.3 1.0
O B:HOH481 4.4 37.1 1.0
OD2 B:ASP91 4.4 22.0 1.0
OG B:SER90 4.5 18.8 1.0
C B:ASP92 4.5 15.9 1.0
CG B:ASP91 4.5 22.1 1.0
O B:HOH581 4.6 35.6 1.0
O B:HOH462 5.0 49.2 1.0

Chlorine binding site 5 out of 45 in 7ck8

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Chlorine binding site 5 out of 45 in the Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:27.4
occ:1.00
 NE2 B:GLN83 2.7 21.7 1.0
N B:ASP84 3.1 13.9 1.0
CG B:ASP84 3.5 18.3 1.0
OD1 B:ASP84 3.6 13.9 1.0
CB B:GLN83 3.6 14.1 1.0
CA B:GLN83 3.7 14.4 1.0
OD2 B:ASP84 3.8 18.4 1.0
CD B:GLN83 3.8 26.6 1.0
CB B:ASP84 3.9 15.5 1.0
C B:GLN83 3.9 13.7 1.0
CA B:ASP84 4.1 11.3 1.0
CD G:LYS87 4.1 18.3 1.0
CG B:GLN83 4.3 18.6 1.0
O G:HOH569 4.4 28.4 1.0
O B:HOH317 4.5 25.0 1.0
O B:HOH350 4.5 22.9 1.0
CG G:LYS87 4.6 18.5 1.0
O B:HOH382 4.7 19.9 1.0
CE G:LYS87 4.7 24.3 1.0
O B:HOH558 4.8 18.1 1.0
NZ G:LYS87 4.9 34.5 1.0
O G:HOH426 4.9 47.1 1.0
OE1 B:GLN83 4.9 30.9 1.0

Chlorine binding site 6 out of 45 in 7ck8

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Chlorine binding site 6 out of 45 in the Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:24.9
occ:1.00
 O B:HOH522 2.7 39.4 1.0
O B:HOH519 3.1 52.0 1.0
N B:TYR12 3.2 15.6 1.0
N B:ASN11 3.4 16.2 1.0
O B:TYR12 3.4 17.4 1.0
CD B:ARG9 3.6 20.6 1.0
NE B:ARG9 3.6 16.2 1.0
CG B:ARG9 3.6 16.3 1.0
O B:HOH475 3.7 37.9 1.0
O B:HOH471 3.9 29.5 1.0
C B:GLN10 3.9 16.4 1.0
C B:TYR12 4.0 14.8 1.0
CA B:TYR12 4.0 13.9 1.0
CA B:ASN11 4.1 15.4 1.0
CA B:GLN10 4.1 14.2 1.0
C B:ASN11 4.1 14.6 1.0
O B:HOH571 4.2 45.5 1.0
N B:GLN10 4.2 14.2 1.0
CB B:TYR12 4.3 14.7 1.0
C B:ARG9 4.4 16.9 1.0
CB B:ARG9 4.6 14.8 1.0
O B:ARG9 4.6 17.1 1.0
O B:GLN10 4.8 15.5 1.0
CZ B:ARG9 4.8 16.8 1.0

Chlorine binding site 7 out of 45 in 7ck8

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Chlorine binding site 7 out of 45 in the Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl204

b:16.6
occ:1.00
 NE2 F:HIS173 3.1 24.7 1.0
NE2 J:HIS173 3.1 25.2 1.0
NE2 E:HIS173 3.1 26.2 1.0
NE2 B:HIS173 3.1 26.4 1.0
CE1 F:HIS173 3.8 31.5 1.0
CE1 J:HIS173 3.8 31.8 1.0
CE1 E:HIS173 3.8 30.7 1.0
CE1 B:HIS173 3.8 30.6 1.0
CD2 F:LEU169 4.0 16.8 1.0
CD2 E:LEU169 4.0 16.5 1.0
CD2 B:LEU169 4.0 16.3 1.0
CD2 J:LEU169 4.0 16.8 1.0
CD2 J:HIS173 4.2 20.7 1.0
CD2 F:HIS173 4.2 20.8 1.0
CD2 E:HIS173 4.2 19.8 1.0
CD2 B:HIS173 4.2 20.1 1.0
CD1 F:LEU169 4.9 14.9 1.0
CD1 J:LEU169 4.9 14.8 1.0
CD1 E:LEU169 4.9 15.4 1.0
CD1 B:LEU169 4.9 15.2 1.0

Chlorine binding site 8 out of 45 in 7ck8

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Chlorine binding site 8 out of 45 in the Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:22.3
occ:1.00
 N C:ASP91 3.1 18.0 1.0
O C:HOH336 3.3 36.1 1.0
N C:ASP92 3.4 15.2 1.0
CA C:SER90 3.9 17.4 1.0
O C:HOH333 3.9 38.2 1.0
CA C:ASP91 3.9 17.2 1.0
C C:SER90 4.0 16.4 1.0
O C:ASP92 4.0 17.2 1.0
CB C:SER90 4.0 18.0 1.0
CB C:ASP91 4.0 16.6 1.0
CB C:ASP92 4.0 18.0 1.0
C C:ASP91 4.2 18.1 1.0
CA C:ASP92 4.2 16.6 1.0
OD2 C:ASP91 4.3 21.4 1.0
O C:HOH473 4.4 36.0 1.0
OG C:SER90 4.5 18.6 1.0
CG C:ASP91 4.5 24.0 1.0
O C:HOH582 4.5 36.9 1.0
C C:ASP92 4.5 17.0 1.0
O C:HOH468 4.9 43.5 1.0

Chlorine binding site 9 out of 45 in 7ck8

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Chlorine binding site 9 out of 45 in the Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:24.7
occ:1.00
 O C:HOH529 2.6 35.9 1.0
O C:HOH513 2.9 37.9 1.0
N C:TYR12 3.3 16.1 1.0
N C:ASN11 3.4 15.8 1.0
O C:TYR12 3.4 17.3 1.0
CD C:ARG9 3.5 18.8 1.0
O C:HOH488 3.5 36.3 1.0
NE C:ARG9 3.6 15.5 1.0
CG C:ARG9 3.6 16.4 1.0
O C:HOH469 3.8 28.6 1.0
C C:GLN10 3.9 17.2 1.0
C C:TYR12 4.0 15.3 1.0
CA C:TYR12 4.1 14.3 1.0
O C:HOH562 4.1 44.1 1.0
CA C:GLN10 4.1 14.4 1.0
CA C:ASN11 4.1 14.6 1.0
N C:GLN10 4.1 13.3 1.0
C C:ASN11 4.1 13.8 1.0
CB C:TYR12 4.3 14.3 1.0
C C:ARG9 4.4 16.2 1.0
CB C:ARG9 4.5 15.6 1.0
O C:ARG9 4.6 17.6 1.0
O C:GLN10 4.8 15.3 1.0
CZ C:ARG9 4.8 17.4 1.0

Chlorine binding site 10 out of 45 in 7ck8

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Chlorine binding site 10 out of 45 in the Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Human Ferritin Heavy Chain Mutant C90S/C102S/C130S within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl203

b:16.3
occ:0.50
 NE2 C:HIS173 3.1 24.7 1.0
NE2 H:HIS173 3.1 25.0 1.0
CE1 C:HIS173 3.9 28.6 1.0
CE1 H:HIS173 3.9 30.3 1.0
CD2 H:LEU169 4.0 16.1 1.0
CD2 C:LEU169 4.0 15.4 1.0
CD2 C:HIS173 4.2 21.4 1.0
CD2 H:HIS173 4.2 19.2 1.0
CD1 C:LEU169 4.9 16.4 1.0
CD1 H:LEU169 4.9 17.2 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 19:42:37 2024

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