Chlorine in PDB 8pp4: Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Reduced Charge Negatively Supercharged Ferritin Variant Ftn(Neg)-M3 (Mg Formate Condition)

Enzymatic activity of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Reduced Charge Negatively Supercharged Ferritin Variant Ftn(Neg)-M3 (Mg Formate Condition)

All present enzymatic activity of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Reduced Charge Negatively Supercharged Ferritin Variant Ftn(Neg)-M3 (Mg Formate Condition):
1.16.3.1;

Protein crystallography data

The structure of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Reduced Charge Negatively Supercharged Ferritin Variant Ftn(Neg)-M3 (Mg Formate Condition), PDB code: 8pp4 was solved by L.Lang, T.Beck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.36 / 2.00
Space group P 4
Cell size a, b, c (Å), α, β, γ (°) 127.039, 127.039, 176.961, 90, 90, 90
R / Rfree (%) 18.1 / 22.1

Other elements in 8pp4:

The structure of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Reduced Charge Negatively Supercharged Ferritin Variant Ftn(Neg)-M3 (Mg Formate Condition) also contains other interesting chemical elements:

Iron (Fe) 14 atoms
Magnesium (Mg) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Reduced Charge Negatively Supercharged Ferritin Variant Ftn(Neg)-M3 (Mg Formate Condition) (pdb code 8pp4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Reduced Charge Negatively Supercharged Ferritin Variant Ftn(Neg)-M3 (Mg Formate Condition), PDB code: 8pp4:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 8pp4

Go back to Chlorine Binding Sites List in 8pp4
Chlorine binding site 1 out of 3 in the Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Reduced Charge Negatively Supercharged Ferritin Variant Ftn(Neg)-M3 (Mg Formate Condition)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Reduced Charge Negatively Supercharged Ferritin Variant Ftn(Neg)-M3 (Mg Formate Condition) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl203

b:29.6
occ:0.25
 O C:HOH317 2.1 45.9 0.2
HE2 C:HIS173 2.4 24.2 0.0
HD21 C:LEU169 3.1 26.1 1.0
NE2 C:HIS173 3.2 25.2 1.0
HD22 C:LEU169 3.6 26.1 1.0
CD2 C:LEU169 3.8 25.8 1.0
CD2 C:HIS173 4.1 29.6 1.0
HD2 C:HIS173 4.1 28.6 1.0
CE1 C:HIS173 4.2 30.6 1.0
HD13 C:LEU169 4.2 26.7 1.0
HE1 C:HIS173 4.3 29.1 1.0
HD23 C:LEU169 4.3 26.5 1.0
HD12 C:LEU169 4.6 26.7 1.0
CD1 C:LEU169 4.7 26.9 1.0
CG C:LEU169 4.9 26.3 1.0

Chlorine binding site 2 out of 3 in 8pp4

Go back to Chlorine Binding Sites List in 8pp4
Chlorine binding site 2 out of 3 in the Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Reduced Charge Negatively Supercharged Ferritin Variant Ftn(Neg)-M3 (Mg Formate Condition)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Reduced Charge Negatively Supercharged Ferritin Variant Ftn(Neg)-M3 (Mg Formate Condition) within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl202

b:33.6
occ:1.00
 HE2 I:HIS173 2.3 33.1 0.0
HE2 K:HIS173 2.3 36.2 0.0
HE2 H:HIS173 2.4 34.0 0.0
HE2 G:HIS173 2.4 30.6 0.0
O G:HOH311 2.6 47.4 1.0
NE2 I:HIS173 3.1 34.0 1.0
HD21 H:LEU169 3.1 35.5 1.0
NE2 K:HIS173 3.1 36.9 1.0
NE2 H:HIS173 3.1 34.0 1.0
NE2 G:HIS173 3.2 32.0 1.0
HD21 I:LEU169 3.2 35.1 1.0
HD21 G:LEU169 3.2 34.1 1.0
HD21 K:LEU169 3.2 33.5 1.0
HD22 K:LEU169 3.7 33.5 1.0
HD22 H:LEU169 3.9 35.5 1.0
HD22 G:LEU169 3.9 34.1 1.0
HD22 I:LEU169 3.9 35.1 1.0
CD2 H:LEU169 3.9 35.8 1.0
CD2 K:LEU169 3.9 34.1 1.0
CD2 I:LEU169 4.0 35.3 1.0
CE1 I:HIS173 4.0 38.3 1.0
CD2 G:LEU169 4.0 35.4 1.0
CE1 H:HIS173 4.0 34.1 1.0
CD2 K:HIS173 4.0 37.8 1.0
CD2 I:HIS173 4.0 38.0 1.0
CD2 H:HIS173 4.0 34.3 1.0
HD2 K:HIS173 4.1 37.6 1.0
HE1 I:HIS173 4.1 37.0 1.0
CD2 G:HIS173 4.1 35.9 1.0
HE1 H:HIS173 4.1 34.1 1.0
CE1 K:HIS173 4.1 41.5 1.0
CE1 G:HIS173 4.1 35.2 1.0
HD13 I:LEU169 4.1 36.2 1.0
HD2 I:HIS173 4.1 36.7 1.0
HD2 G:HIS173 4.1 34.4 1.0
HD2 H:HIS173 4.1 34.1 1.0
HE1 G:HIS173 4.2 34.6 1.0
HE1 K:HIS173 4.2 39.9 1.0
HD13 H:LEU169 4.2 35.3 1.0
HD13 G:LEU169 4.3 32.9 1.0
HD13 K:LEU169 4.3 31.1 1.0
HD23 H:LEU169 4.5 35.5 1.0
HD23 K:LEU169 4.5 33.5 1.0
HD23 G:LEU169 4.6 34.0 1.0
HD23 I:LEU169 4.6 35.1 1.0
HD12 I:LEU169 4.7 36.2 1.0
CD1 I:LEU169 4.7 37.0 1.0
HD12 K:LEU169 4.8 31.1 1.0
HD12 G:LEU169 4.8 32.9 1.0
HD12 H:LEU169 4.8 35.3 1.0
CD1 K:LEU169 4.8 30.6 1.0
CD1 H:LEU169 4.9 35.6 1.0
CD1 G:LEU169 4.9 33.6 1.0
CG I:LEU169 4.9 34.6 1.0
CG K:LEU169 5.0 32.3 1.0
CG H:LEU169 5.0 34.8 1.0
HB3 H:LEU169 5.0 34.5 1.0
HB3 I:LEU169 5.0 34.4 1.0
CG G:LEU169 5.0 31.3 1.0

Chlorine binding site 3 out of 3 in 8pp4

Go back to Chlorine Binding Sites List in 8pp4
Chlorine binding site 3 out of 3 in the Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Reduced Charge Negatively Supercharged Ferritin Variant Ftn(Neg)-M3 (Mg Formate Condition)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Reduced Charge Negatively Supercharged Ferritin Variant Ftn(Neg)-M3 (Mg Formate Condition) within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl203

b:44.3
occ:0.25
 FE L:FE202 1.7 123.9 0.2
HE2 L:HIS173 2.4 45.0 0.0
NE2 L:HIS173 3.1 45.2 1.0
HD21 L:LEU169 3.3 41.4 1.0
HD22 L:LEU169 3.7 41.4 1.0
CE1 L:HIS173 3.9 44.1 1.0
HE1 L:HIS173 4.0 47.0 1.0
CD2 L:LEU169 4.0 41.9 1.0
HD13 L:LEU169 4.0 40.6 1.0
CD2 L:HIS173 4.1 44.5 1.0
HD2 L:HIS173 4.2 44.3 1.0
HD12 L:LEU169 4.4 40.6 1.0
CD1 L:LEU169 4.6 40.7 1.0
HD23 L:LEU169 4.6 41.4 1.0
CG L:LEU169 4.9 40.4 1.0

Reference:

L.Lang, H.Bohler, H.Wagler, T.Beck. Assembly Requirements For the Construction of Large-Scale Binary Protein Structures. Biomacromolecules 2023.
ISSN: ESSN 1526-4602
PubMed: 38059469
DOI: 10.1021/ACS.BIOMAC.3C00891
Page generated: Tue Jul 30 11:38:48 2024

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