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Chlorine in PDB 9dql: Human Clpp - Bortezomib - A192E / E196R

Enzymatic activity of Human Clpp - Bortezomib - A192E / E196R

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

Protein crystallography data

The structure of Human Clpp - Bortezomib - A192E / E196R, PDB code: 9dql 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) 44.24 / 3.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 122.19, 93.88, 133.72, 90, 97.87, 90
R / Rfree (%) 18.6 / 23.7

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 9 in 9dql

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Chlorine binding site 1 out of 9 in the Human Clpp - Bortezomib - 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 - Bortezomib - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:108.4
occ:1.00
 CG G:PRO171 3.3 108.5 1.0
CB A:GLN137 3.4 117.5 1.0
CD G:PRO171 3.7 103.9 1.0
OD1 A:ASP134 3.9 110.2 1.0
O A:ASP134 4.0 112.5 1.0
C A:GLN137 4.2 112.6 1.0
CB G:HIS247 4.2 155.1 1.0
N A:TYR138 4.2 118.7 1.0
N G:HIS247 4.3 129.8 1.0
CG A:GLN137 4.4 117.7 1.0
CA A:GLN137 4.4 108.2 1.0
CB G:PRO171 4.4 118.5 1.0
CA A:ASP134 4.5 101.5 1.0
O A:GLN137 4.5 131.5 1.0
CA A:TYR138 4.6 123.2 1.0
CG A:ASP134 4.6 112.6 1.0
C A:ASP134 4.7 104.4 1.0
CB A:ASP134 4.8 103.8 1.0
C G:VAL246 4.8 142.2 1.0
CA G:VAL246 4.9 136.1 1.0
CB A:TYR138 4.9 134.8 1.0
CA G:HIS247 4.9 153.9 1.0

Chlorine binding site 2 out of 9 in 9dql

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Chlorine binding site 2 out of 9 in the Human Clpp - Bortezomib - 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 - Bortezomib - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:149.1
occ:1.00
 O A:MET136 3.0 122.9 1.0
O A:ILE139 3.0 118.6 1.0
O A:ASN141 3.1 142.9 1.0
C A:MET136 4.1 110.3 1.0
O A:GLN137 4.2 131.5 1.0
C A:ASN141 4.2 121.8 1.0
CA A:GLN137 4.2 108.2 1.0
C A:ILE139 4.3 126.4 1.0
C A:GLN137 4.4 112.6 1.0
OG1 A:THR163 4.6 123.6 1.0
CG1 A:ILE139 4.7 121.3 1.0
N A:GLN137 4.7 104.9 1.0
C A:LEU140 4.7 125.9 1.0
CG1 A:ILE143 4.7 103.8 1.0
CD1 A:ILE143 4.7 107.1 1.0
O A:LEU140 4.8 134.4 1.0
N A:ASN141 4.8 120.0 1.0
CA A:PRO142 4.9 115.0 1.0
N A:PRO142 4.9 117.4 1.0

Chlorine binding site 3 out of 9 in 9dql

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Chlorine binding site 3 out of 9 in the Human Clpp - Bortezomib - 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 - Bortezomib - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:216.3
occ:1.00
 O C:ASN141 3.1 127.1 1.0
O C:MET136 3.1 131.5 1.0
O C:ILE139 3.1 142.6 1.0
C C:ASN141 4.1 125.7 1.0
C C:MET136 4.3 119.9 1.0
OG1 C:THR163 4.3 122.2 1.0
C C:ILE139 4.3 130.5 1.0
O C:GLN137 4.5 129.3 1.0
CG1 C:ILE143 4.5 107.1 1.0
CG1 C:ILE139 4.6 124.6 1.0
C C:LEU140 4.6 134.9 1.0
CA C:PRO142 4.6 122.8 1.0
CA C:GLN137 4.6 110.2 1.0
O C:LEU140 4.7 132.7 1.0
C C:GLN137 4.7 114.1 1.0
N C:ASN141 4.7 129.8 1.0
CD1 C:ILE143 4.7 104.1 1.0
N C:PRO142 4.7 118.5 1.0
N C:ILE143 4.9 116.0 1.0
N C:GLN137 4.9 112.9 1.0

Chlorine binding site 4 out of 9 in 9dql

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Chlorine binding site 4 out of 9 in the Human Clpp - Bortezomib - 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 - Bortezomib - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl302

b:359.0
occ:1.00
 O F:ASN141 2.8 176.9 1.0
O F:MET136 2.9 163.0 1.0
O F:ILE139 2.9 154.3 1.0
CG1 F:ILE143 3.7 136.3 1.0
CD1 F:ILE143 3.7 138.2 1.0
CG1 F:ILE139 3.8 161.0 1.0
C F:ASN141 3.8 178.9 1.0
C F:ILE139 3.9 160.1 1.0
C F:MET136 4.1 143.6 1.0
N F:ASN141 4.3 163.6 1.0
C F:LEU140 4.4 158.1 1.0
OG1 F:THR163 4.5 147.0 1.0
CD1 F:ILE139 4.6 161.8 1.0
CB F:ILE143 4.6 129.4 1.0
N F:ILE143 4.6 158.1 1.0
N F:LEU140 4.7 162.3 1.0
N F:PRO142 4.7 185.8 1.0
CA F:ASN141 4.7 173.8 1.0
CA F:PRO142 4.7 180.5 1.0
CA F:LEU140 4.7 163.1 1.0
O F:LEU140 4.8 159.9 1.0
CA F:ILE139 4.8 152.8 1.0
O F:GLN137 4.8 164.7 1.0
CA F:GLN137 4.9 144.4 1.0
C F:GLN137 4.9 158.4 1.0
N F:ILE139 4.9 157.6 1.0
CB F:ILE139 4.9 155.9 1.0
C F:PRO142 4.9 174.8 1.0
N F:GLN137 5.0 137.7 1.0
CA F:MET136 5.0 142.1 1.0

Chlorine binding site 5 out of 9 in 9dql

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Chlorine binding site 5 out of 9 in the Human Clpp - Bortezomib - 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 - Bortezomib - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl302

b:501.1
occ:1.00
 O G:ASN141 3.0 138.0 1.0
O G:MET136 3.0 134.9 1.0
O G:ILE139 3.0 144.7 1.0
C G:ASN141 4.1 131.3 1.0
C G:MET136 4.2 119.9 1.0
C G:ILE139 4.2 138.5 1.0
O G:GLN137 4.3 160.3 1.0
OG1 G:THR163 4.4 133.6 1.0
CG1 G:ILE143 4.5 106.3 1.0
CA G:GLN137 4.5 129.5 1.0
C G:LEU140 4.5 121.8 1.0
CG1 G:ILE139 4.6 128.0 1.0
C G:GLN137 4.6 131.6 1.0
O G:LEU140 4.6 126.1 1.0
N G:ASN141 4.7 121.5 1.0
CA G:PRO142 4.7 124.4 1.0
CD1 G:ILE143 4.7 105.8 1.0
N G:PRO142 4.7 118.2 1.0
N G:GLN137 4.8 120.6 1.0
CA G:LEU140 4.9 123.6 1.0
N G:ILE143 4.9 117.1 1.0

Chlorine binding site 6 out of 9 in 9dql

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Chlorine binding site 6 out of 9 in the Human Clpp - Bortezomib - 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 - Bortezomib - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl302

b:185.7
occ:1.00
 O H:ILE139 3.0 113.2 1.0
O H:ASN141 3.0 125.3 1.0
O H:MET136 3.0 122.1 1.0
C H:ASN141 4.0 114.0 1.0
C H:ILE139 4.2 107.9 1.0
C H:MET136 4.2 97.0 1.0
CD1 H:ILE143 4.3 98.8 1.0
CG1 H:ILE143 4.3 99.0 1.0
OG1 H:THR163 4.4 127.0 1.0
CG1 H:ILE139 4.4 102.0 1.0
C H:LEU140 4.4 111.9 1.0
N H:ASN141 4.6 112.4 1.0
O H:GLN137 4.6 139.0 1.0
O H:LEU140 4.6 118.0 1.0
CA H:GLN137 4.7 98.2 1.0
CA H:PRO142 4.7 105.6 1.0
N H:PRO142 4.7 103.9 1.0
C H:GLN137 4.7 116.9 1.0
CA H:LEU140 4.8 97.8 1.0
N H:GLN137 4.9 99.0 1.0
N H:ILE143 4.9 93.9 1.0
CA H:ASN141 4.9 108.4 1.0
N H:LEU140 5.0 102.4 1.0

Chlorine binding site 7 out of 9 in 9dql

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Chlorine binding site 7 out of 9 in the Human Clpp - Bortezomib - 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 - Bortezomib - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl302

b:203.8
occ:1.00
 O I:ILE139 3.1 139.0 1.0
O I:MET136 3.4 132.5 1.0
O I:ASN141 3.6 154.7 1.0
NE2 H:HIS247 4.1 189.2 1.0
O I:GLN137 4.2 148.3 1.0
C I:ILE139 4.3 135.7 1.0
O I:LEU140 4.4 131.8 1.0
C I:LEU140 4.5 134.6 1.0
C I:ASN141 4.5 147.9 1.0
C I:MET136 4.5 118.9 1.0
CA I:GLN137 4.6 116.9 1.0
C I:GLN137 4.6 125.9 1.0
OG1 I:THR163 4.7 145.9 1.0
CE1 H:HIS247 4.7 198.6 1.0
CA I:LEU140 4.7 139.9 1.0
N I:ASN141 4.9 138.4 1.0
CG1 I:ILE143 4.9 144.3 1.0
N I:LEU140 5.0 140.0 1.0

Chlorine binding site 8 out of 9 in 9dql

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Chlorine binding site 8 out of 9 in the Human Clpp - Bortezomib - 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 - Bortezomib - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl302

b:222.7
occ:1.00
 O L:ILE139 2.9 156.8 1.0
O L:ASN141 3.0 150.6 1.0
O L:MET136 3.2 153.2 1.0
C L:ASN141 4.1 143.6 1.0
C L:ILE139 4.1 165.5 1.0
CD1 L:ILE143 4.3 138.6 1.0
C L:MET136 4.3 138.1 1.0
OG1 L:THR163 4.4 127.9 1.0
C L:LEU140 4.4 145.9 1.0
CG1 L:ILE143 4.4 127.3 1.0
O L:LEU140 4.5 154.1 1.0
CG1 L:ILE139 4.5 146.6 1.0
O L:GLN137 4.5 160.6 1.0
N L:ASN141 4.6 151.9 1.0
CA L:GLN137 4.7 151.0 1.0
C L:GLN137 4.7 157.7 1.0
CA L:PRO142 4.8 143.6 1.0
N L:PRO142 4.8 128.5 1.0
CA L:LEU140 4.8 143.2 1.0
N L:LEU140 4.9 155.0 1.0
CE1 K:HIS247 4.9 200.5 1.0
N L:GLN137 5.0 143.8 1.0

Chlorine binding site 9 out of 9 in 9dql

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Chlorine binding site 9 out of 9 in the Human Clpp - Bortezomib - 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 - Bortezomib - A192E / E196R within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Cl302

b:204.1
occ:1.00
 O N:MET136 2.9 122.8 1.0
O N:ILE139 3.0 121.0 1.0
O N:ASN141 3.6 130.7 1.0
O N:GLN137 3.8 132.4 1.0
C N:MET136 4.1 101.2 1.0
CA N:GLN137 4.1 103.2 1.0
C N:GLN137 4.1 117.2 1.0
C N:ILE139 4.3 125.1 1.0
N N:GLN137 4.6 101.7 1.0
C N:ASN141 4.6 126.0 1.0
OG1 N:THR163 4.7 103.8 1.0
C N:LEU140 4.8 117.7 1.0
NE2 M:HIS247 4.8 168.6 1.0
NE2 N:GLN137 4.8 131.7 1.0
CG1 N:ILE139 4.9 109.2 1.0
O N:LEU140 4.9 116.3 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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