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Chlorine in PDB 7z53: Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus

Protein crystallography data

The structure of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus, PDB code: 7z53 was solved by V.Pfanzagl, J.A.Brito, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 76.19 / 2.28
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 257.022, 157.196, 166.56, 90, 90, 90
R / Rfree (%) 17.4 / 22.9

Other elements in 7z53:

The structure of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus also contains other interesting chemical elements:

Iron (Fe) 8 atoms
Calcium (Ca) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus (pdb code 7z53). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus, PDB code: 7z53:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 7z53

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Chlorine binding site 1 out of 8 in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl3001

b:20.0
occ:1.00
H A:TRP198 2.4 23.0 1.0
H B:VAL493 2.5 27.4 1.0
O A:HOH3125 2.8 20.4 1.0
HH2 B:TRP602 2.9 26.2 1.0
HA A:ARG197 2.9 34.0 1.0
HB3 B:ASN492 3.0 25.1 1.0
HG12 B:VAL493 3.1 22.4 1.0
N A:TRP198 3.1 19.1 1.0
HB B:VAL493 3.2 23.4 1.0
H A:LEU199 3.2 23.7 1.0
N B:VAL493 3.3 22.8 1.0
H B:ASN492 3.3 24.6 1.0
HB2 A:TRP198 3.3 25.9 1.0
HB1 B:ALA491 3.5 26.4 1.0
HD3 A:ARG197 3.5 30.3 1.0
CH2 B:TRP602 3.7 21.8 1.0
N B:ASN492 3.7 20.4 1.0
CB B:ASN492 3.7 20.9 1.0
CG1 B:VAL493 3.7 18.6 1.0
CA A:ARG197 3.8 28.3 1.0
HZ2 B:TRP602 3.8 29.6 1.0
CB B:VAL493 3.8 19.5 1.0
HB2 B:ASN492 3.9 25.1 1.0
HG11 B:VAL493 3.9 22.4 1.0
C A:ARG197 3.9 19.1 1.0
O A:VAL196 4.0 23.9 1.0
N A:LEU199 4.0 19.7 1.0
HH11 A:ARG197 4.0 30.7 1.0
CA B:ASN492 4.1 18.9 1.0
CA A:TRP198 4.1 20.8 1.0
CB A:TRP198 4.1 21.5 1.0
C B:ASN492 4.1 22.3 1.0
CA B:VAL493 4.1 21.4 1.0
CZ2 B:TRP602 4.1 24.6 1.0
HD22 B:LEU596 4.1 28.3 1.0
HD2 A:ARG197 4.3 30.3 1.0
CD A:ARG197 4.3 25.2 1.0
HB3 A:ARG197 4.3 28.9 1.0
HD21 B:LEU596 4.4 28.3 1.0
CB B:ALA491 4.4 21.9 1.0
O A:LEU199 4.5 23.3 1.0
C A:TRP198 4.5 20.9 1.0
CB A:ARG197 4.6 24.1 1.0
HD23 B:LEU596 4.6 28.3 1.0
C B:ALA491 4.6 21.9 1.0
CD2 B:LEU596 4.6 23.5 1.0
HA B:VAL493 4.6 25.7 1.0
HG13 B:VAL493 4.6 22.4 1.0
CG A:TRP198 4.8 17.3 1.0
N A:ARG197 4.8 28.4 1.0
HB2 A:LEU199 4.8 24.5 1.0
CZ3 B:TRP602 4.8 17.2 1.0
HB3 B:ALA491 4.8 26.4 1.0
NH1 A:ARG197 4.8 25.6 1.0
HA B:ALA491 4.8 25.4 1.0
C A:VAL196 4.8 27.9 1.0
HB3 A:TRP198 4.8 25.9 1.0
HZ3 B:TRP602 4.9 20.7 1.0
CA B:ALA491 4.9 21.1 1.0
HA A:TRP198 4.9 25.0 1.0
CG A:ARG197 5.0 23.8 1.0
CG B:ASN492 5.0 22.4 1.0

Chlorine binding site 2 out of 8 in 7z53

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Chlorine binding site 2 out of 8 in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:22.3
occ:1.00
H C:TRP198 2.3 24.6 1.0
H D:VAL493 2.4 31.7 1.0
HH2 D:TRP602 2.8 27.7 1.0
HB3 D:ASN492 2.9 29.2 1.0
HA C:ARG197 2.9 31.2 1.0
HB D:VAL493 3.1 28.4 1.0
O C:HOH410 3.1 22.6 1.0
N C:TRP198 3.1 20.5 1.0
HG12 D:VAL493 3.2 32.2 1.0
N D:VAL493 3.2 26.4 1.0
H D:ASN492 3.3 33.0 1.0
HB2 C:TRP198 3.4 24.7 1.0
H C:LEU199 3.4 31.6 1.0
HD3 C:ARG197 3.5 35.4 1.0
CH2 D:TRP602 3.6 23.0 1.0
HB1 D:ALA491 3.6 27.7 1.0
CB D:ASN492 3.7 24.3 1.0
N D:ASN492 3.7 27.5 1.0
CB D:VAL493 3.7 23.6 1.0
CA C:ARG197 3.8 26.0 1.0
CG1 D:VAL493 3.8 26.8 1.0
HZ2 D:TRP602 3.8 30.7 1.0
HB2 D:ASN492 3.8 29.2 1.0
HG11 D:VAL493 3.8 32.2 1.0
C C:ARG197 3.9 24.0 1.0
HD21 D:LEU596 3.9 31.6 1.0
HD22 D:LEU596 3.9 31.6 1.0
CA D:ASN492 4.0 27.8 1.0
CZ2 D:TRP602 4.1 25.6 1.0
HH11 C:ARG197 4.1 27.6 1.0
CA D:VAL493 4.1 24.6 1.0
O C:VAL196 4.1 17.3 1.0
C D:ASN492 4.1 26.3 1.0
HD23 D:LEU596 4.1 31.6 1.0
CA C:TRP198 4.1 26.7 1.0
CB C:TRP198 4.1 20.5 1.0
N C:LEU199 4.2 26.3 1.0
CD2 D:LEU596 4.2 26.3 1.0
HB3 C:ARG197 4.3 32.4 1.0
CD C:ARG197 4.3 29.5 1.0
HD2 C:ARG197 4.3 35.4 1.0
O C:LEU199 4.5 27.1 1.0
HA D:VAL493 4.5 29.6 1.0
CB D:ALA491 4.5 23.0 1.0
CB C:ARG197 4.5 27.0 1.0
C D:ALA491 4.5 19.2 1.0
HB2 C:LEU199 4.6 27.1 1.0
C C:TRP198 4.7 29.4 1.0
CZ3 D:TRP602 4.7 21.1 1.0
HG13 D:VAL493 4.7 32.2 1.0
CG C:TRP198 4.7 20.0 1.0
HZ3 D:TRP602 4.7 25.4 1.0
HB3 D:ALA491 4.8 27.7 1.0
N C:ARG197 4.8 26.4 1.0
NH1 C:ARG197 4.9 22.9 1.0
HA D:ALA491 4.9 27.1 1.0
C C:VAL196 4.9 25.2 1.0
HB3 C:TRP198 4.9 24.7 1.0
CG D:ASN492 4.9 27.3 1.0
CG C:ARG197 4.9 30.5 1.0
HA C:TRP198 4.9 32.0 1.0
CA D:ALA491 4.9 22.5 1.0
HA D:ASN492 5.0 33.4 1.0

Chlorine binding site 3 out of 8 in 7z53

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Chlorine binding site 3 out of 8 in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl301

b:25.2
occ:1.00
H H:VAL493 2.3 33.6 1.0
H G:TRP198 2.4 27.3 1.0
HB3 H:ASN492 2.8 27.9 1.0
HA G:ARG197 2.8 31.1 1.0
HH2 H:TRP602 3.1 30.2 1.0
HB H:VAL493 3.1 33.6 1.0
N H:VAL493 3.1 27.9 1.0
O G:HOH407 3.1 19.6 1.0
H H:ASN492 3.1 34.7 1.0
HG12 H:VAL493 3.2 31.3 1.0
N G:TRP198 3.3 23.0 1.0
H G:LEU199 3.5 29.9 1.0
HD3 G:ARG197 3.5 31.2 1.0
HB1 H:ALA491 3.5 32.4 1.0
N H:ASN492 3.5 28.9 1.0
CB H:ASN492 3.6 23.2 1.0
HB2 G:TRP198 3.7 30.0 1.0
CA G:ARG197 3.7 25.9 1.0
CB H:VAL493 3.7 28.0 1.0
HZ2 H:TRP602 3.7 30.9 1.0
CG1 H:VAL493 3.8 26.1 1.0
HB2 H:ASN492 3.8 27.9 1.0
CH2 H:TRP602 3.8 25.1 1.0
CA H:ASN492 3.8 24.6 1.0
C H:ASN492 3.9 24.5 1.0
HG11 H:VAL493 3.9 31.3 1.0
HD22 H:LEU596 3.9 26.8 1.0
O G:VAL196 3.9 30.5 1.0
C G:ARG197 4.0 26.2 1.0
CA H:VAL493 4.0 23.7 1.0
HH11 G:ARG197 4.0 29.2 1.0
HD21 H:LEU596 4.2 26.8 1.0
HD2 G:ARG197 4.2 31.2 1.0
CZ2 H:TRP602 4.2 25.8 1.0
HB3 G:ARG197 4.2 31.4 1.0
CD G:ARG197 4.2 25.9 1.0
CA G:TRP198 4.3 26.6 1.0
HD23 H:LEU596 4.3 26.8 1.0
N G:LEU199 4.3 24.9 1.0
CD2 H:LEU596 4.3 22.3 1.0
C H:ALA491 4.3 32.6 1.0
CB G:TRP198 4.4 25.0 1.0
CB H:ALA491 4.4 27.0 1.0
HA H:VAL493 4.4 28.4 1.0
CB G:ARG197 4.4 26.2 1.0
O G:LEU199 4.6 31.3 1.0
HG13 H:VAL493 4.7 31.3 1.0
N G:ARG197 4.7 23.4 1.0
HA H:ALA491 4.7 34.1 1.0
C G:VAL196 4.7 24.9 1.0
HB3 H:ALA491 4.7 32.4 1.0
C G:TRP198 4.8 25.3 1.0
CA H:ALA491 4.8 28.4 1.0
CG H:ASN492 4.8 30.6 1.0
HA H:ASN492 4.8 29.6 1.0
NH1 G:ARG197 4.8 24.3 1.0
CG G:TRP198 4.9 23.9 1.0
CG G:ARG197 4.9 23.4 1.0

Chlorine binding site 4 out of 8 in 7z53

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Chlorine binding site 4 out of 8 in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl301

b:25.5
occ:1.00
H J:VAL493 2.5 40.0 1.0
H I:TRP198 2.6 32.6 1.0
HH2 J:TRP602 2.9 38.2 1.0
HB3 J:ASN492 2.9 27.9 1.0
O I:HOH409 2.9 25.0 1.0
HA I:ARG197 3.1 34.0 1.0
HB J:VAL493 3.1 33.8 1.0
HG12 J:VAL493 3.2 35.2 1.0
N J:VAL493 3.2 33.3 1.0
N I:TRP198 3.3 27.1 1.0
H I:LEU199 3.3 35.6 1.0
HB2 I:TRP198 3.4 33.5 1.0
H J:ASN492 3.4 30.6 1.0
HB1 J:ALA491 3.5 31.9 1.0
HZ2 J:TRP602 3.6 40.9 1.0
HD3 I:ARG197 3.6 37.4 1.0
CH2 J:TRP602 3.7 31.8 1.0
CB J:ASN492 3.7 23.2 1.0
CB J:VAL493 3.7 28.1 1.0
CG1 J:VAL493 3.7 29.3 1.0
HG11 J:VAL493 3.8 35.2 1.0
N J:ASN492 3.8 25.5 1.0
HB2 J:ASN492 3.8 27.9 1.0
CA I:ARG197 3.9 28.3 1.0
HD22 J:LEU596 4.0 37.7 1.0
CZ2 J:TRP602 4.0 34.0 1.0
HH11 I:ARG197 4.0 37.8 1.0
C I:ARG197 4.1 29.6 1.0
CA J:ASN492 4.1 27.0 1.0
CA J:VAL493 4.1 28.3 1.0
HD21 J:LEU596 4.1 37.7 1.0
N I:LEU199 4.1 29.7 1.0
O I:VAL196 4.1 27.0 1.0
C J:ASN492 4.1 27.4 1.0
CA I:TRP198 4.2 31.5 1.0
CB I:TRP198 4.2 27.9 1.0
CD2 J:LEU596 4.4 31.4 1.0
HD23 J:LEU596 4.4 37.7 1.0
HA J:VAL493 4.5 34.0 1.0
CB J:ALA491 4.5 26.5 1.0
CD I:ARG197 4.5 31.1 1.0
HB3 I:ARG197 4.5 37.4 1.0
O I:LEU199 4.6 32.1 1.0
C J:ALA491 4.6 27.1 1.0
C I:TRP198 4.6 28.5 1.0
HD2 I:ARG197 4.7 37.4 1.0
HG13 J:VAL493 4.7 35.2 1.0
HA J:ALA491 4.7 30.8 1.0
CB I:ARG197 4.7 31.2 1.0
HB2 I:LEU199 4.7 32.8 1.0
CG I:TRP198 4.8 29.9 1.0
HB3 J:ALA491 4.8 31.9 1.0
CZ3 J:TRP602 4.8 35.1 1.0
NH1 I:ARG197 4.8 31.5 1.0
CA J:ALA491 4.9 25.6 1.0
CG J:ASN492 4.9 31.5 1.0
N I:ARG197 4.9 27.9 1.0
HB3 I:TRP198 4.9 33.5 1.0
C I:VAL196 4.9 31.6 1.0
HZ3 J:TRP602 5.0 42.1 1.0

Chlorine binding site 5 out of 8 in 7z53

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Chlorine binding site 5 out of 8 in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cl301

b:20.2
occ:1.00
H M:TRP198 2.4 25.0 1.0
H N:VAL493 2.5 24.7 1.0
HB3 N:ASN492 2.9 22.0 1.0
HA M:ARG197 2.9 26.0 1.0
HG12 N:VAL493 3.0 28.0 1.0
HH2 N:TRP602 3.0 22.2 1.0
O M:HOH415 3.1 19.6 1.0
HB N:VAL493 3.1 24.0 1.0
H N:ASN492 3.2 25.1 1.0
N M:TRP198 3.2 20.8 1.0
N N:VAL493 3.2 20.6 1.0
HB1 N:ALA491 3.3 26.0 1.0
H M:LEU199 3.4 25.5 1.0
HB2 M:TRP198 3.4 23.4 1.0
HD3 M:ARG197 3.5 29.6 1.0
N N:ASN492 3.6 20.9 1.0
CG1 N:VAL493 3.6 23.3 1.0
CB N:ASN492 3.7 18.3 1.0
CB N:VAL493 3.7 20.0 1.0
HB2 N:ASN492 3.7 22.0 1.0
CA M:ARG197 3.8 21.6 1.0
HZ2 N:TRP602 3.8 24.6 1.0
HG11 N:VAL493 3.8 28.0 1.0
CH2 N:TRP602 3.8 18.4 1.0
C M:ARG197 4.0 17.7 1.0
CA N:ASN492 4.0 18.6 1.0
O M:VAL196 4.0 23.4 1.0
HD22 N:LEU596 4.1 26.9 1.0
C N:ASN492 4.1 20.1 1.0
CA N:VAL493 4.1 21.3 1.0
N M:LEU199 4.1 21.2 1.0
HD21 N:LEU596 4.2 26.9 1.0
CA M:TRP198 4.2 19.8 1.0
CB M:TRP198 4.2 19.4 1.0
CZ2 N:TRP602 4.2 20.5 1.0
HH11 M:ARG197 4.2 29.2 1.0
HD23 N:LEU596 4.3 26.9 1.0
CB N:ALA491 4.3 21.7 1.0
CD M:ARG197 4.3 24.7 1.0
HB3 M:ARG197 4.3 24.3 1.0
CD2 N:LEU596 4.4 22.4 1.0
HD2 M:ARG197 4.4 29.6 1.0
C N:ALA491 4.5 20.0 1.0
O M:LEU199 4.5 18.0 1.0
HG13 N:VAL493 4.5 28.0 1.0
CB M:ARG197 4.5 20.2 1.0
HA N:VAL493 4.5 25.6 1.0
HB2 M:LEU199 4.6 19.8 1.0
C M:TRP198 4.6 22.5 1.0
HB3 N:ALA491 4.7 26.0 1.0
HA N:ALA491 4.7 28.3 1.0
CG M:TRP198 4.7 16.9 1.0
CA N:ALA491 4.8 23.5 1.0
N M:ARG197 4.8 19.2 1.0
CG M:ARG197 4.8 26.3 1.0
C M:VAL196 4.8 21.3 1.0
HB2 N:ALA491 4.9 26.0 1.0
HG2 M:ARG197 4.9 31.6 1.0
CZ3 N:TRP602 4.9 23.6 1.0
CG N:ASN492 4.9 26.7 1.0
HA N:ASN492 4.9 22.4 1.0
HB3 M:TRP198 5.0 23.4 1.0
HA M:TRP198 5.0 23.8 1.0
NH1 M:ARG197 5.0 24.3 1.0

Chlorine binding site 6 out of 8 in 7z53

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Chlorine binding site 6 out of 8 in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
O:Cl301

b:20.5
occ:1.00
H P:VAL493 2.4 29.8 1.0
H O:TRP198 2.5 26.1 1.0
HH2 P:TRP602 2.9 24.2 1.0
HB3 P:ASN492 2.9 27.4 1.0
HA O:ARG197 3.0 24.9 1.0
O O:HOH420 3.0 19.3 1.0
HB P:VAL493 3.1 27.4 1.0
N P:VAL493 3.2 24.8 1.0
N O:TRP198 3.3 21.7 1.0
H O:LEU199 3.3 27.5 1.0
HB2 O:TRP198 3.4 26.0 1.0
HG12 P:VAL493 3.4 31.1 1.0
H P:ASN492 3.4 25.8 1.0
HZ2 P:TRP602 3.5 25.8 1.0
HB1 P:ALA491 3.6 28.7 1.0
HD3 O:ARG197 3.6 27.9 1.0
CB P:ASN492 3.6 22.8 1.0
CH2 P:TRP602 3.6 20.1 1.0
HB2 P:ASN492 3.7 27.4 1.0
N P:ASN492 3.8 21.4 1.0
CB P:VAL493 3.8 22.8 1.0
CA O:ARG197 3.8 20.7 1.0
HD22 P:LEU596 3.8 22.9 1.0
CG1 P:VAL493 4.0 25.9 1.0
CZ2 P:TRP602 4.0 21.5 1.0
CA P:ASN492 4.0 22.4 1.0
C O:ARG197 4.0 20.1 1.0
HG11 P:VAL493 4.1 31.1 1.0
CA P:VAL493 4.1 27.5 1.0
C P:ASN492 4.1 22.8 1.0
O O:VAL196 4.1 25.8 1.0
HD2 O:ARG197 4.1 27.9 1.0
N O:LEU199 4.1 22.9 1.0
HD21 P:LEU596 4.1 22.9 1.0
CB O:TRP198 4.1 21.6 1.0
HH11 O:ARG197 4.2 22.8 1.0
CA O:TRP198 4.2 21.5 1.0
HD23 P:LEU596 4.3 22.9 1.0
CD O:ARG197 4.3 23.2 1.0
CD2 P:LEU596 4.3 19.1 1.0
HB3 O:ARG197 4.3 33.9 1.0
HA P:VAL493 4.4 33.0 1.0
O O:LEU199 4.5 21.4 1.0
CB P:ALA491 4.5 23.9 1.0
C P:ALA491 4.5 20.4 1.0
CB O:ARG197 4.6 28.2 1.0
C O:TRP198 4.6 19.0 1.0
HB3 P:ALA491 4.8 28.7 1.0
CG O:TRP198 4.8 21.1 1.0
CZ3 P:TRP602 4.8 24.9 1.0
HB2 O:LEU199 4.8 21.8 1.0
HG13 P:VAL493 4.9 31.1 1.0
CG P:ASN492 4.9 24.3 1.0
N O:ARG197 4.9 17.7 1.0
HA P:ALA491 4.9 23.0 1.0
HB3 O:TRP198 4.9 26.0 1.0
NH1 O:ARG197 4.9 18.9 1.0
C O:VAL196 4.9 25.2 1.0
CA P:ALA491 4.9 19.2 1.0
CG O:ARG197 4.9 24.9 1.0
HA P:ASN492 5.0 26.9 1.0
HZ3 P:TRP602 5.0 29.9 1.0

Chlorine binding site 7 out of 8 in 7z53

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Chlorine binding site 7 out of 8 in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl301

b:23.1
occ:1.00
H T:VAL493 2.5 31.7 1.0
H S:TRP198 2.5 26.0 1.0
HH2 T:TRP602 2.8 25.0 1.0
HB3 T:ASN492 2.9 28.1 1.0
HA S:ARG197 2.9 34.2 1.0
O S:HOH414 3.0 21.6 1.0
HB T:VAL493 3.1 26.0 1.0
HG12 T:VAL493 3.2 29.2 1.0
H S:LEU199 3.2 27.3 1.0
N S:TRP198 3.2 21.6 1.0
N T:VAL493 3.3 26.4 1.0
HB2 S:TRP198 3.4 24.7 1.0
H T:ASN492 3.5 30.9 1.0
CH2 T:TRP602 3.6 20.8 1.0
HB1 T:ALA491 3.6 26.2 1.0
CB T:ASN492 3.6 23.4 1.0
HB2 T:ASN492 3.7 28.1 1.0
HZ2 T:TRP602 3.7 27.3 1.0
CA S:ARG197 3.7 28.5 1.0
CB T:VAL493 3.8 21.6 1.0
N T:ASN492 3.8 25.7 1.0
CG1 T:VAL493 3.8 24.3 1.0
HE S:ARG197 3.9 41.4 1.0
C S:ARG197 4.0 26.1 1.0
HD22 T:LEU596 4.0 26.9 1.0
N S:LEU199 4.0 22.7 1.0
HB3 S:ARG197 4.0 36.9 1.0
CZ2 T:TRP602 4.1 22.7 1.0
HG11 T:VAL493 4.1 29.2 1.0
CA T:ASN492 4.1 23.9 1.0
HG2 S:ARG197 4.1 36.7 1.0
O S:VAL196 4.1 18.4 1.0
CA T:VAL493 4.2 24.9 1.0
C T:ASN492 4.2 21.7 1.0
CA S:TRP198 4.2 21.9 1.0
CB S:TRP198 4.2 20.6 1.0
HD21 T:LEU596 4.2 26.9 1.0
CB S:ARG197 4.3 30.7 1.0
HH21 S:ARG197 4.4 35.1 1.0
CD2 T:LEU596 4.4 22.4 1.0
O S:LEU199 4.4 24.9 1.0
HD23 T:LEU596 4.5 26.9 1.0
CB T:ALA491 4.6 21.8 1.0
HA T:VAL493 4.6 29.9 1.0
C S:TRP198 4.6 22.9 1.0
NE S:ARG197 4.6 34.5 1.0
C T:ALA491 4.6 22.2 1.0
HG13 T:VAL493 4.7 29.2 1.0
CZ3 T:TRP602 4.7 21.9 1.0
CG S:ARG197 4.7 30.6 1.0
HB2 S:LEU199 4.7 19.7 1.0
HZ3 T:TRP602 4.8 26.3 1.0
CG S:TRP198 4.8 18.4 1.0
N S:ARG197 4.8 26.0 1.0
CG T:ASN492 4.9 29.7 1.0
C S:VAL196 4.9 20.7 1.0
HA T:ALA491 4.9 23.1 1.0
HB3 T:ALA491 4.9 26.2 1.0
HB3 S:TRP198 5.0 24.7 1.0
CA T:ALA491 5.0 19.2 1.0

Chlorine binding site 8 out of 8 in 7z53

Go back to Chlorine Binding Sites List in 7z53
Chlorine binding site 8 out of 8 in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cl301

b:23.3
occ:1.00
H V:VAL493 2.6 31.5 1.0
H U:TRP198 2.6 21.2 1.0
HB3 V:ASN492 2.8 21.2 1.0
HA U:ARG197 2.9 25.5 1.0
O U:HOH431 2.9 15.7 1.0
HH2 V:TRP602 2.9 28.0 1.0
HB V:VAL493 3.1 21.1 1.0
N V:VAL493 3.3 26.2 1.0
H V:ASN492 3.3 25.9 1.0
N U:TRP198 3.3 17.6 1.0
HD3 U:ARG197 3.4 24.8 1.0
H U:LEU199 3.5 20.1 1.0
HB2 U:TRP198 3.5 24.2 1.0
HG12 V:VAL493 3.5 30.7 1.0
CB V:ASN492 3.6 17.6 1.0
N V:ASN492 3.7 21.5 1.0
CH2 V:TRP602 3.7 23.3 1.0
HB1 V:ALA491 3.7 24.4 1.0
HZ2 V:TRP602 3.8 28.8 1.0
CA U:ARG197 3.8 21.2 1.0
HB2 V:ASN492 3.8 21.2 1.0
HD22 V:LEU596 3.8 20.4 1.0
CB V:VAL493 3.8 17.5 1.0
O U:VAL196 3.9 16.9 1.0
CA V:ASN492 4.0 20.7 1.0
CG1 V:VAL493 4.0 25.5 1.0
HG11 V:VAL493 4.0 30.7 1.0
C V:ASN492 4.0 18.8 1.0
C U:ARG197 4.0 20.1 1.0
CA V:VAL493 4.1 19.5 1.0
HH11 U:ARG197 4.1 24.8 1.0
CZ2 V:TRP602 4.1 23.9 1.0
HD21 V:LEU596 4.2 20.4 1.0
HD23 V:LEU596 4.2 20.4 1.0
N U:LEU199 4.2 16.8 1.0
CB U:TRP198 4.2 20.1 1.0
CD2 V:LEU596 4.3 17.0 1.0
CA U:TRP198 4.3 20.7 1.0
HB3 U:ARG197 4.3 25.0 1.0
CD U:ARG197 4.3 20.6 1.0
HA V:VAL493 4.4 23.5 1.0
HD2 U:ARG197 4.5 24.8 1.0
C V:ALA491 4.5 21.8 1.0
CB U:ARG197 4.5 20.8 1.0
O U:LEU199 4.5 23.2 1.0
CB V:ALA491 4.6 20.3 1.0
HB2 U:LEU199 4.7 27.2 1.0
C U:TRP198 4.7 18.2 1.0
N U:ARG197 4.8 15.6 1.0
C U:VAL196 4.8 20.2 1.0
HG2 U:ARG197 4.8 26.6 1.0
NH1 U:ARG197 4.8 20.6 1.0
CG U:ARG197 4.8 22.1 1.0
CG V:ASN492 4.8 26.7 1.0
CZ3 V:TRP602 4.8 24.9 1.0
CG U:TRP198 4.9 16.9 1.0
HG13 V:VAL493 4.9 30.7 1.0
HA V:ASN492 4.9 24.9 1.0
HA V:ALA491 4.9 26.1 1.0
HZ3 V:TRP602 4.9 29.9 1.0
HB3 V:ALA491 5.0 24.4 1.0
CA V:ALA491 5.0 21.7 1.0

Reference:

U.Leitgeb, P.G.Furtmuller, S.Hofbauer, J.A.Brito, C.Obinger, V.Pfanzagl. The Staphylococcal Inhibitory Protein Spin Binds to Human Myeloperoxidase with Picomolar Affinity But Only Dampens Halide Oxidation. J.Biol.Chem. V. 298 02514 2022.
ISSN: ESSN 1083-351X
PubMed: 36150500
DOI: 10.1016/J.JBC.2022.102514
Page generated: Sun Jul 13 08:41:48 2025

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