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Chlorine in PDB 9dqk: Human Clpp - Apo - A192E / E196R

Enzymatic activity of Human Clpp - Apo - A192E / E196R

All present enzymatic activity of Human Clpp - Apo - A192E / E196R:
3.4.21.92;

Protein crystallography data

The structure of Human Clpp - Apo - A192E / E196R, PDB code: 9dqk was solved by T.J.B.Forrester, M.S.Kimber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.07 / 2.75
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 121.32, 94.99, 134.36, 90, 96.11, 90
R / Rfree (%) 20.6 / 25

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Chlorine atom in the Human Clpp - Apo - A192E / E196R (pdb code 9dqk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 14 binding sites of Chlorine where determined in the Human Clpp - Apo - A192E / E196R, PDB code: 9dqk:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 14 in 9dqk

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Chlorine binding site 1 out of 14 in the Human Clpp - Apo - A192E / E196R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Clpp - Apo - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:95.6
occ:1.00
 O A:MET136 3.0 90.2 1.0
O A:ILE139 3.0 98.3 1.0
O A:ASN141 3.1 96.9 1.0
C A:MET136 4.2 75.6 1.0
C A:ASN141 4.2 97.7 1.0
C A:ILE139 4.2 99.4 1.0
CG1 A:ILE143 4.4 83.9 1.0
CA A:GLN137 4.5 77.6 1.0
O A:GLN137 4.5 102.0 1.0
CD1 A:ILE143 4.5 95.2 1.0
CG1 A:ILE139 4.5 80.1 1.0
C A:LEU140 4.6 97.0 1.0
C A:GLN137 4.6 92.1 1.0
N A:ASN141 4.7 91.0 1.0
O A:LEU140 4.7 99.7 1.0
CA A:PRO142 4.8 86.2 1.0
N A:GLN137 4.8 79.0 1.0
OG1 A:THR163 4.8 95.3 1.0
N A:PRO142 4.9 97.4 1.0
N A:ILE143 4.9 90.3 1.0
CA A:LEU140 4.9 95.2 1.0

Chlorine binding site 2 out of 14 in 9dqk

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Chlorine binding site 2 out of 14 in the Human Clpp - Apo - A192E / E196R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Clpp - Apo - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:88.9
occ:1.00
 O B:MET136 3.0 87.3 1.0
O B:ILE139 3.0 88.8 1.0
O B:ASN141 3.4 97.7 1.0
C B:MET136 4.1 74.6 1.0
O B:GLN137 4.2 90.6 1.0
CA B:GLN137 4.3 74.5 1.0
C B:ILE139 4.3 94.0 1.0
C B:GLN137 4.4 87.1 1.0
C B:ASN141 4.4 94.1 1.0
CD1 B:ILE143 4.6 92.0 1.0
CG1 B:ILE143 4.6 75.0 1.0
CG1 B:ILE139 4.7 75.4 1.0
C B:LEU140 4.7 90.1 1.0
N B:GLN137 4.7 82.1 1.0
OG1 B:THR163 4.8 99.9 1.0
O B:LEU140 4.8 92.3 1.0
N B:ASN141 4.9 88.2 1.0
CA B:LEU140 5.0 84.1 1.0

Chlorine binding site 3 out of 14 in 9dqk

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Chlorine binding site 3 out of 14 in the Human Clpp - Apo - A192E / E196R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Clpp - Apo - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:92.8
occ:1.00
 O C:MET136 3.0 101.6 1.0
O C:ILE139 3.0 89.7 1.0
O C:ASN141 3.1 97.1 1.0
CG1 C:ILE143 4.0 89.1 1.0
C C:ASN141 4.1 89.3 1.0
C C:MET136 4.2 83.8 1.0
C C:ILE139 4.2 96.2 1.0
C C:LEU140 4.5 88.2 1.0
CA C:GLN137 4.5 87.2 1.0
O C:LEU140 4.5 95.1 1.0
CG1 C:ILE139 4.5 81.7 1.0
N C:ASN141 4.7 81.1 1.0
C C:GLN137 4.7 98.3 1.0
CA C:PRO142 4.7 88.2 1.0
O C:GLN137 4.7 111.9 1.0
N C:ILE143 4.8 95.5 1.0
CD1 C:ILE143 4.8 90.0 1.0
N C:PRO142 4.8 82.1 1.0
N C:GLN137 4.8 88.2 1.0
OG1 C:THR163 4.8 90.6 1.0
CA C:LEU140 4.9 93.2 1.0
N C:LEU140 5.0 86.1 1.0

Chlorine binding site 4 out of 14 in 9dqk

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Chlorine binding site 4 out of 14 in the Human Clpp - Apo - A192E / E196R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Human Clpp - Apo - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:101.1
occ:1.00
 O D:ILE139 2.9 100.6 1.0
O D:MET136 3.0 117.2 1.0
O D:ASN141 3.5 119.6 1.0
C D:ILE139 4.0 115.6 1.0
C D:MET136 4.1 103.1 1.0
CA D:GLN137 4.4 102.6 1.0
CG1 D:ILE139 4.4 107.5 1.0
C D:ASN141 4.5 116.1 1.0
O D:GLN137 4.5 111.5 1.0
C D:LEU140 4.5 113.3 1.0
C D:GLN137 4.6 106.8 1.0
CG1 D:ILE143 4.7 94.7 1.0
CD1 D:ILE143 4.7 104.0 1.0
O D:LEU140 4.7 122.9 1.0
CA D:LEU140 4.7 108.9 1.0
N D:ASN141 4.8 108.5 1.0
N D:GLN137 4.8 103.2 1.0
N D:LEU140 4.8 112.7 1.0
OG1 D:THR163 4.8 108.3 1.0

Chlorine binding site 5 out of 14 in 9dqk

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Chlorine binding site 5 out of 14 in the Human Clpp - Apo - A192E / E196R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Human Clpp - Apo - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl301

b:109.7
occ:1.00
 O E:MET136 3.1 116.7 1.0
O E:ASN141 3.2 118.0 1.0
O E:ILE139 3.6 111.1 1.0
OG1 E:THR163 4.1 123.2 1.0
CG1 E:ILE143 4.2 111.0 1.0
C E:MET136 4.2 108.4 1.0
CA E:GLN137 4.3 103.4 1.0
C E:ASN141 4.3 113.7 1.0
O E:GLN137 4.4 133.5 1.0
N E:ILE143 4.4 122.1 1.0
CD1 E:ILE139 4.5 118.2 1.0
CA E:PRO142 4.6 105.8 1.0
C E:GLN137 4.6 116.8 1.0
N E:GLN137 4.7 107.0 1.0
CB E:ILE143 4.8 119.1 1.0
C E:ILE139 4.8 122.0 1.0
O E:LEU140 4.9 109.8 1.0
CG1 E:ILE139 4.9 115.7 1.0
N E:PRO142 4.9 108.2 1.0
C E:PRO142 5.0 121.0 1.0

Chlorine binding site 6 out of 14 in 9dqk

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Chlorine binding site 6 out of 14 in the Human Clpp - Apo - A192E / E196R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Human Clpp - Apo - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl301

b:94.5
occ:1.00
 O F:ILE139 3.0 105.4 1.0
O F:MET136 3.1 106.6 1.0
O F:ASN141 3.5 100.2 1.0
CD1 F:ILE143 3.6 105.7 1.0
C F:ILE139 4.2 109.3 1.0
C F:MET136 4.2 107.0 1.0
CA F:GLN137 4.4 96.5 1.0
C F:ASN141 4.5 103.0 1.0
CG1 F:ILE139 4.6 101.7 1.0
NE2 F:GLN137 4.6 118.7 1.0
C F:GLN137 4.6 111.7 1.0
C F:LEU140 4.8 103.2 1.0
N F:GLN137 4.8 109.0 1.0
O F:LEU140 4.8 103.5 1.0
N F:ILE139 4.9 111.8 1.0
N F:TYR138 4.9 107.7 1.0

Chlorine binding site 7 out of 14 in 9dqk

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Chlorine binding site 7 out of 14 in the Human Clpp - Apo - A192E / E196R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Human Clpp - Apo - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl301

b:93.3
occ:1.00
 O G:MET136 3.0 100.3 1.0
O G:ILE139 3.0 99.5 1.0
O G:ASN141 3.1 108.6 1.0
C G:ASN141 4.1 107.4 1.0
C G:MET136 4.1 90.8 1.0
C G:ILE139 4.2 112.0 1.0
CG1 G:ILE143 4.3 90.0 1.0
CG1 G:ILE139 4.4 102.5 1.0
CD1 G:ILE143 4.5 87.5 1.0
OG1 G:THR163 4.5 100.2 1.0
C G:LEU140 4.5 108.1 1.0
CA G:GLN137 4.6 85.5 1.0
O G:LEU140 4.6 110.5 1.0
N G:ASN141 4.7 102.7 1.0
O G:GLN137 4.7 109.5 1.0
C G:GLN137 4.8 100.9 1.0
CA G:PRO142 4.8 109.8 1.0
N G:PRO142 4.9 108.5 1.0
N G:GLN137 4.9 93.8 1.0
N G:ILE143 4.9 93.0 1.0
CA G:LEU140 4.9 106.3 1.0
N G:LEU140 5.0 111.7 1.0

Chlorine binding site 8 out of 14 in 9dqk

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Chlorine binding site 8 out of 14 in the Human Clpp - Apo - A192E / E196R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Human Clpp - Apo - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl301

b:76.1
occ:1.00
 O H:MET136 3.0 79.3 1.0
O H:ASN141 3.0 89.5 1.0
O H:ILE139 3.1 86.1 1.0
CG1 H:ILE143 3.9 62.8 1.0
CD1 H:ILE143 4.0 81.6 1.0
C H:MET136 4.1 73.4 1.0
C H:ASN141 4.1 80.6 1.0
C H:ILE139 4.3 84.6 1.0
CG1 H:ILE139 4.4 84.6 1.0
OG1 H:THR163 4.4 88.3 1.0
CA H:GLN137 4.5 65.2 1.0
N H:ILE143 4.7 74.9 1.0
O H:GLN137 4.7 84.3 1.0
C H:LEU140 4.7 76.5 1.0
C H:GLN137 4.7 69.3 1.0
CB H:ILE143 4.7 70.0 1.0
N H:GLN137 4.8 78.6 1.0
N H:ASN141 4.8 81.7 1.0
CA H:PRO142 4.8 75.2 1.0
O H:LEU140 4.8 92.5 1.0
N H:PRO142 4.9 79.4 1.0

Chlorine binding site 9 out of 14 in 9dqk

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Chlorine binding site 9 out of 14 in the Human Clpp - Apo - A192E / E196R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Human Clpp - Apo - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl301

b:81.6
occ:1.00
 O I:ASN141 3.0 79.6 1.0
O I:ILE139 3.0 75.0 1.0
O I:MET136 3.0 73.0 1.0
C I:ASN141 4.1 76.5 1.0
C I:ILE139 4.1 81.4 1.0
CG1 I:ILE143 4.2 54.3 1.0
C I:MET136 4.2 73.8 1.0
CD1 I:ILE143 4.2 61.4 1.0
CG1 I:ILE139 4.3 63.0 1.0
O I:GLN137 4.4 84.4 1.0
C I:LEU140 4.5 81.6 1.0
CA I:GLN137 4.6 66.4 1.0
C I:GLN137 4.6 69.3 1.0
O I:LEU140 4.6 83.7 1.0
N I:ASN141 4.6 73.7 1.0
CA I:PRO142 4.7 69.6 1.0
N I:PRO142 4.8 74.8 1.0
N I:ILE143 4.8 67.2 1.0
OG1 I:THR163 4.8 77.0 1.0
N I:GLN137 4.9 78.4 1.0
CA I:LEU140 4.9 81.2 1.0
N I:LEU140 5.0 78.1 1.0
CB I:ILE143 5.0 66.1 1.0

Chlorine binding site 10 out of 14 in 9dqk

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Chlorine binding site 10 out of 14 in the Human Clpp - Apo - A192E / E196R


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Human Clpp - Apo - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl301

b:80.2
occ:1.00
 O J:MET136 2.9 84.6 1.0
O J:ASN141 2.9 98.1 1.0
O J:ILE139 3.0 82.2 1.0
C J:MET136 4.1 74.8 1.0
C J:ASN141 4.1 83.2 1.0
C J:ILE139 4.2 88.2 1.0
CG1 J:ILE143 4.3 82.4 1.0
CD1 J:ILE143 4.3 84.3 1.0
CG1 J:ILE139 4.5 79.6 1.0
C J:LEU140 4.5 93.1 1.0
CA J:GLN137 4.5 73.1 1.0
OG1 J:THR163 4.5 85.9 1.0
N J:ASN141 4.6 86.9 1.0
O J:GLN137 4.7 86.3 1.0
CA J:LEU140 4.7 90.2 1.0
O J:LEU140 4.8 95.3 1.0
N J:GLN137 4.8 78.3 1.0
C J:GLN137 4.8 76.6 1.0
CA J:PRO142 4.8 87.9 1.0
N J:ILE143 4.9 85.2 1.0
N J:PRO142 4.9 82.3 1.0
N J:LEU140 4.9 82.7 1.0
CB J:ILE143 5.0 83.7 1.0
CA J:ASN141 5.0 84.8 1.0

Reference:

M.M.Goncalves, A.B.Uday, T.J.B.Forrester, S.Q.W.Currie, A.S.Kim, Y.Feng, Y.Jitkova, A.Velyvis, R.W.Harkness, M.S.Kimber, A.D.Schimmer, N.Zeytuni, S.Vahidi. Mechanism of Allosteric Activation in Human Mitochondrial Clpp Protease. Proc.Natl.Acad.Sci.Usa V. 122 81122 2025.
ISSN: ESSN 1091-6490
PubMed: 40232800
DOI: 10.1073/PNAS.2419881122
Page generated: Sun Jul 13 16:23:45 2025

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