Chlorine in PDB 6h23: Crystal Structure of the Hclpp Y118A Mutant with An Activating Small Molecule
Enzymatic activity of Crystal Structure of the Hclpp Y118A Mutant with An Activating Small Molecule
All present enzymatic activity of Crystal Structure of the Hclpp Y118A Mutant with An Activating Small Molecule:
3.4.21.92;
Protein crystallography data
The structure of Crystal Structure of the Hclpp Y118A Mutant with An Activating Small Molecule, PDB code: 6h23
was solved by
L.M.Kick,
S.A.Sieber,
S.Schneider,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
42.34 /
3.09
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
115.504,
97.153,
127.249,
90.00,
93.53,
90.00
|
R / Rfree (%)
|
21.5 /
26.1
|
Other elements in 6h23:
The structure of Crystal Structure of the Hclpp Y118A Mutant with An Activating Small Molecule also contains other interesting chemical elements:
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
27;
Binding sites:
The binding sites of Chlorine atom in the Crystal Structure of the Hclpp Y118A Mutant with An Activating Small Molecule
(pdb code 6h23). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 27 binding sites of Chlorine where determined in the
Crystal Structure of the Hclpp Y118A Mutant with An Activating Small Molecule, PDB code: 6h23:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 27 in 6h23
Go back to
Chlorine Binding Sites List in 6h23
Chlorine binding site 1 out
of 27 in the Crystal Structure of the Hclpp Y118A Mutant with An Activating Small Molecule
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 the Hclpp Y118A Mutant with An Activating Small Molecule within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl301
b:89.5
occ:0.43
|
CL1
|
A:FJT301
|
0.0
|
89.5
|
0.4
|
CL1
|
A:FJT301
|
1.3
|
86.4
|
0.3
|
C17
|
A:FJT301
|
1.8
|
84.0
|
0.4
|
C17
|
A:FJT301
|
2.2
|
83.9
|
0.3
|
C18
|
A:FJT301
|
2.6
|
83.3
|
0.3
|
C18
|
A:FJT301
|
2.8
|
83.5
|
0.4
|
C16
|
A:FJT301
|
2.8
|
84.5
|
0.4
|
C15
|
A:FJT301
|
3.0
|
85.5
|
0.4
|
C16
|
A:FJT301
|
3.5
|
84.8
|
0.3
|
CD1
|
B:TRP146
|
3.8
|
84.4
|
1.0
|
N12
|
A:FJT301
|
3.8
|
86.3
|
0.3
|
C13
|
A:FJT301
|
3.9
|
86.5
|
0.3
|
C13
|
A:FJT301
|
4.0
|
86.7
|
0.4
|
C19
|
A:FJT301
|
4.0
|
83.3
|
0.3
|
CB
|
B:HIS116
|
4.0
|
86.2
|
1.0
|
C19
|
A:FJT301
|
4.0
|
83.5
|
0.4
|
C21
|
A:FJT301
|
4.0
|
84.9
|
0.4
|
CG
|
B:TRP146
|
4.0
|
82.0
|
1.0
|
C15
|
A:FJT301
|
4.1
|
85.5
|
0.3
|
O14
|
A:FJT301
|
4.1
|
85.5
|
0.4
|
CD1
|
B:ILE84
|
4.1
|
81.6
|
1.0
|
NE1
|
B:TRP146
|
4.2
|
85.0
|
1.0
|
N11
|
A:FJT301
|
4.4
|
85.3
|
0.3
|
CG2
|
B:ILE84
|
4.4
|
78.1
|
1.0
|
O14
|
A:FJT301
|
4.4
|
84.8
|
0.3
|
CB
|
B:TRP146
|
4.4
|
75.5
|
1.0
|
CB
|
B:ALA118
|
4.5
|
50.0
|
1.0
|
CD2
|
B:TRP146
|
4.5
|
83.6
|
1.0
|
C20
|
A:FJT301
|
4.6
|
84.1
|
0.4
|
C21
|
A:FJT301
|
4.6
|
84.8
|
0.3
|
CG1
|
B:ILE84
|
4.6
|
86.2
|
1.0
|
CG
|
B:HIS116
|
4.6
|
93.0
|
1.0
|
ND1
|
B:HIS116
|
4.6
|
93.1
|
1.0
|
CE2
|
B:TRP146
|
4.6
|
85.5
|
1.0
|
C10
|
A:FJT301
|
4.7
|
84.6
|
0.3
|
C20
|
A:FJT301
|
4.8
|
83.2
|
0.3
|
F22
|
A:FJT301
|
4.8
|
82.4
|
0.3
|
CD1
|
A:LEU104
|
4.9
|
79.0
|
1.0
|
N
|
B:ALA118
|
5.0
|
70.1
|
1.0
|
|
Chlorine binding site 2 out
of 27 in 6h23
Go back to
Chlorine Binding Sites List in 6h23
Chlorine binding site 2 out
of 27 in the Crystal Structure of the Hclpp Y118A Mutant with An Activating Small Molecule
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 the Hclpp Y118A Mutant with An Activating Small Molecule within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl301
b:86.4
occ:0.34
|
CL1
|
A:FJT301
|
0.0
|
86.4
|
0.3
|
CL1
|
A:FJT301
|
1.3
|
89.5
|
0.4
|
C17
|
A:FJT301
|
1.6
|
84.0
|
0.4
|
C17
|
A:FJT301
|
1.8
|
83.9
|
0.3
|
C16
|
A:FJT301
|
2.0
|
84.5
|
0.4
|
C15
|
A:FJT301
|
2.0
|
85.5
|
0.4
|
C18
|
A:FJT301
|
2.7
|
83.3
|
0.3
|
C16
|
A:FJT301
|
2.8
|
84.8
|
0.3
|
C18
|
A:FJT301
|
2.9
|
83.5
|
0.4
|
N12
|
A:FJT301
|
3.1
|
86.3
|
0.3
|
C13
|
A:FJT301
|
3.1
|
86.5
|
0.3
|
C15
|
A:FJT301
|
3.2
|
85.5
|
0.3
|
CD1
|
B:TRP146
|
3.2
|
84.4
|
1.0
|
C13
|
A:FJT301
|
3.3
|
86.7
|
0.4
|
NE1
|
B:TRP146
|
3.3
|
85.0
|
1.0
|
C21
|
A:FJT301
|
3.3
|
84.9
|
0.4
|
CG
|
B:TRP146
|
3.4
|
82.0
|
1.0
|
CE2
|
B:TRP146
|
3.5
|
85.5
|
1.0
|
CD2
|
B:TRP146
|
3.6
|
83.6
|
1.0
|
O14
|
A:FJT301
|
3.8
|
85.5
|
0.4
|
N11
|
A:FJT301
|
3.9
|
85.3
|
0.3
|
C19
|
A:FJT301
|
3.9
|
83.5
|
0.4
|
O14
|
A:FJT301
|
4.0
|
84.8
|
0.3
|
C19
|
A:FJT301
|
4.0
|
83.3
|
0.3
|
C21
|
A:FJT301
|
4.1
|
84.8
|
0.3
|
C20
|
A:FJT301
|
4.1
|
84.1
|
0.4
|
CB
|
B:TRP146
|
4.2
|
75.5
|
1.0
|
ND1
|
B:HIS116
|
4.3
|
93.1
|
1.0
|
CZ2
|
B:TRP146
|
4.3
|
83.4
|
1.0
|
C10
|
A:FJT301
|
4.4
|
84.6
|
0.3
|
CE3
|
B:TRP146
|
4.4
|
75.4
|
1.0
|
CB
|
B:HIS116
|
4.4
|
86.2
|
1.0
|
N12
|
A:FJT301
|
4.4
|
84.8
|
0.4
|
C20
|
A:FJT301
|
4.6
|
83.2
|
0.3
|
CG
|
B:HIS116
|
4.6
|
93.0
|
1.0
|
CD1
|
B:ILE84
|
4.9
|
81.6
|
1.0
|
CH2
|
B:TRP146
|
5.0
|
82.3
|
1.0
|
|
Chlorine binding site 3 out
of 27 in 6h23
Go back to
Chlorine Binding Sites List in 6h23
Chlorine binding site 3 out
of 27 in the Crystal Structure of the Hclpp Y118A Mutant with An Activating Small Molecule
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 the Hclpp Y118A Mutant with An Activating Small Molecule within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl301
b:95.5
occ:0.38
|
CL1
|
B:FJT301
|
0.0
|
95.5
|
0.4
|
CL1
|
B:FJT301
|
0.6
|
96.0
|
0.5
|
C17
|
B:FJT301
|
1.3
|
91.3
|
0.5
|
C17
|
B:FJT301
|
1.8
|
90.7
|
0.4
|
C18
|
B:FJT301
|
2.3
|
89.8
|
0.5
|
C16
|
B:FJT301
|
2.4
|
91.7
|
0.5
|
C18
|
B:FJT301
|
2.7
|
89.1
|
0.4
|
C16
|
B:FJT301
|
2.8
|
91.2
|
0.4
|
C15
|
B:FJT301
|
2.9
|
93.0
|
0.5
|
C15
|
B:FJT301
|
3.1
|
92.8
|
0.4
|
N12
|
B:FJT301
|
3.1
|
91.0
|
0.4
|
CG
|
C:TRP146
|
3.3
|
84.4
|
1.0
|
C13
|
B:FJT301
|
3.3
|
93.3
|
0.4
|
CD1
|
C:TRP146
|
3.3
|
84.8
|
1.0
|
C19
|
B:FJT301
|
3.5
|
86.6
|
0.5
|
C21
|
B:FJT301
|
3.6
|
91.5
|
0.5
|
CB
|
C:TRP146
|
3.6
|
83.3
|
1.0
|
CD2
|
C:TRP146
|
3.8
|
88.3
|
1.0
|
NE1
|
C:TRP146
|
3.8
|
86.2
|
1.0
|
C13
|
B:FJT301
|
3.9
|
93.7
|
0.5
|
C19
|
B:FJT301
|
4.0
|
85.2
|
0.4
|
C21
|
B:FJT301
|
4.1
|
90.1
|
0.4
|
C20
|
B:FJT301
|
4.1
|
88.5
|
0.5
|
CE2
|
C:TRP146
|
4.1
|
89.9
|
1.0
|
N11
|
B:FJT301
|
4.2
|
91.6
|
0.4
|
O14
|
B:FJT301
|
4.3
|
92.7
|
0.5
|
CB
|
C:ALA118
|
4.3
|
50.0
|
1.0
|
O14
|
B:FJT301
|
4.4
|
93.9
|
0.4
|
C20
|
B:FJT301
|
4.6
|
86.3
|
0.4
|
CB
|
C:HIS116
|
4.6
|
86.9
|
1.0
|
CE3
|
C:TRP146
|
4.6
|
89.4
|
1.0
|
F22
|
B:FJT301
|
4.7
|
82.2
|
0.5
|
CA
|
C:ALA118
|
4.7
|
72.1
|
1.0
|
C10
|
B:FJT301
|
4.8
|
93.1
|
0.4
|
N
|
C:ALA118
|
4.8
|
69.9
|
1.0
|
N12
|
B:FJT301
|
4.9
|
93.0
|
0.5
|
|
Chlorine binding site 4 out
of 27 in 6h23
Go back to
Chlorine Binding Sites List in 6h23
Chlorine binding site 4 out
of 27 in the Crystal Structure of the Hclpp Y118A Mutant with An Activating Small Molecule
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 the Hclpp Y118A Mutant with An Activating Small Molecule within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl301
b:96.0
occ:0.46
|
CL1
|
B:FJT301
|
0.0
|
96.0
|
0.5
|
CL1
|
B:FJT301
|
0.6
|
95.5
|
0.4
|
C17
|
B:FJT301
|
1.8
|
91.3
|
0.5
|
C17
|
B:FJT301
|
2.3
|
90.7
|
0.4
|
C18
|
B:FJT301
|
2.8
|
89.8
|
0.5
|
C16
|
B:FJT301
|
2.8
|
91.7
|
0.5
|
N12
|
B:FJT301
|
3.0
|
91.0
|
0.4
|
C15
|
B:FJT301
|
3.0
|
93.0
|
0.5
|
C18
|
B:FJT301
|
3.2
|
89.1
|
0.4
|
C16
|
B:FJT301
|
3.2
|
91.2
|
0.4
|
C13
|
B:FJT301
|
3.4
|
93.3
|
0.4
|
CD1
|
C:TRP146
|
3.4
|
84.8
|
1.0
|
C15
|
B:FJT301
|
3.4
|
92.8
|
0.4
|
CG
|
C:TRP146
|
3.6
|
84.4
|
1.0
|
NE1
|
C:TRP146
|
3.9
|
86.2
|
1.0
|
C13
|
B:FJT301
|
3.9
|
93.7
|
0.5
|
N11
|
B:FJT301
|
4.0
|
91.6
|
0.4
|
CB
|
C:TRP146
|
4.0
|
83.3
|
1.0
|
C19
|
B:FJT301
|
4.0
|
86.6
|
0.5
|
C21
|
B:FJT301
|
4.0
|
91.5
|
0.5
|
CB
|
C:HIS116
|
4.1
|
86.9
|
1.0
|
O14
|
B:FJT301
|
4.1
|
92.7
|
0.5
|
CD2
|
C:TRP146
|
4.2
|
88.3
|
1.0
|
CB
|
C:ALA118
|
4.3
|
50.0
|
1.0
|
CE2
|
C:TRP146
|
4.3
|
89.9
|
1.0
|
O14
|
B:FJT301
|
4.4
|
93.9
|
0.4
|
C19
|
B:FJT301
|
4.5
|
85.2
|
0.4
|
C21
|
B:FJT301
|
4.5
|
90.1
|
0.4
|
C20
|
B:FJT301
|
4.6
|
88.5
|
0.5
|
CG2
|
C:ILE84
|
4.6
|
85.2
|
1.0
|
CD1
|
C:ILE84
|
4.6
|
87.0
|
1.0
|
CA
|
C:ALA118
|
4.6
|
72.1
|
1.0
|
N
|
C:ALA118
|
4.6
|
69.9
|
1.0
|
C10
|
B:FJT301
|
4.7
|
93.1
|
0.4
|
CG
|
C:HIS116
|
4.8
|
90.3
|
1.0
|
ND1
|
C:HIS116
|
4.8
|
89.2
|
1.0
|
C
|
C:MET117
|
4.9
|
72.0
|
1.0
|
C
|
C:HIS116
|
5.0
|
78.8
|
1.0
|
CG1
|
C:ILE84
|
5.0
|
90.2
|
1.0
|
|
Chlorine binding site 5 out
of 27 in 6h23
Go back to
Chlorine Binding Sites List in 6h23
Chlorine binding site 5 out
of 27 in the Crystal Structure of the Hclpp Y118A Mutant with An Activating Small Molecule
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 the Hclpp Y118A Mutant with An Activating Small Molecule within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl301
b:87.1
occ:0.80
|
CL1
|
D:FJT301
|
0.0
|
87.1
|
0.8
|
C17
|
D:FJT301
|
1.8
|
76.5
|
0.8
|
C16
|
D:FJT301
|
2.7
|
77.2
|
0.8
|
C18
|
D:FJT301
|
2.8
|
71.6
|
0.8
|
C15
|
D:FJT301
|
3.0
|
81.2
|
0.8
|
C13
|
D:FJT301
|
3.5
|
89.6
|
0.8
|
O14
|
D:FJT301
|
3.5
|
90.1
|
0.8
|
CD1
|
D:TRP146
|
3.6
|
72.3
|
1.0
|
CG
|
D:TRP146
|
3.7
|
69.0
|
1.0
|
NE1
|
D:TRP146
|
3.9
|
76.7
|
1.0
|
C21
|
D:FJT301
|
4.0
|
77.8
|
0.8
|
C19
|
D:FJT301
|
4.0
|
71.5
|
0.8
|
CD2
|
D:TRP146
|
4.1
|
70.2
|
1.0
|
CB
|
D:TRP146
|
4.2
|
66.0
|
1.0
|
CE2
|
D:TRP146
|
4.2
|
76.6
|
1.0
|
CB
|
D:HIS116
|
4.5
|
71.6
|
1.0
|
C20
|
D:FJT301
|
4.6
|
73.0
|
0.8
|
CB
|
D:ALA118
|
4.6
|
50.0
|
1.0
|
N12
|
D:FJT301
|
4.6
|
85.8
|
0.8
|
C10
|
D:FJT301
|
4.7
|
87.1
|
0.8
|
CD2
|
C:LEU104
|
4.9
|
75.5
|
1.0
|
CE3
|
D:TRP146
|
5.0
|
72.5
|
1.0
|
CG2
|
D:ILE84
|
5.0
|
69.8
|
1.0
|
CD1
|
D:ILE84
|
5.0
|
81.4
|
1.0
|
|
Chlorine binding site 6 out
of 27 in 6h23
Go back to
Chlorine Binding Sites List in 6h23
Chlorine binding site 6 out
of 27 in the Crystal Structure of the Hclpp Y118A Mutant with An Activating Small Molecule
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 the Hclpp Y118A Mutant with An Activating Small Molecule within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl302
b:78.5
occ:0.44
|
CL1
|
D:FJT302
|
0.0
|
78.5
|
0.4
|
CL1
|
D:FJT302
|
0.7
|
78.5
|
0.5
|
C17
|
D:FJT302
|
1.8
|
76.5
|
0.4
|
C17
|
D:FJT302
|
1.9
|
76.1
|
0.5
|
C18
|
D:FJT302
|
2.6
|
73.8
|
0.5
|
C18
|
D:FJT302
|
2.7
|
73.9
|
0.4
|
C16
|
D:FJT302
|
2.8
|
76.4
|
0.4
|
C16
|
D:FJT302
|
3.0
|
76.3
|
0.5
|
N12
|
D:FJT302
|
3.1
|
79.7
|
0.4
|
C15
|
D:FJT302
|
3.1
|
77.8
|
0.4
|
C13
|
D:FJT302
|
3.2
|
80.5
|
0.4
|
C15
|
D:FJT302
|
3.4
|
76.9
|
0.5
|
CD1
|
E:TRP146
|
3.7
|
73.1
|
1.0
|
O14
|
D:FJT302
|
3.8
|
82.1
|
0.5
|
CG
|
E:TRP146
|
3.9
|
69.1
|
1.0
|
C19
|
D:FJT302
|
3.9
|
72.0
|
0.5
|
C13
|
D:FJT302
|
4.0
|
79.9
|
0.5
|
NE1
|
E:TRP146
|
4.0
|
76.1
|
1.0
|
C19
|
D:FJT302
|
4.0
|
72.1
|
0.4
|
C21
|
D:FJT302
|
4.1
|
75.1
|
0.4
|
N11
|
D:FJT302
|
4.1
|
80.5
|
0.4
|
O14
|
D:FJT302
|
4.2
|
81.2
|
0.4
|
C21
|
D:FJT302
|
4.2
|
74.9
|
0.5
|
CB
|
E:HIS116
|
4.3
|
74.1
|
1.0
|
CD2
|
E:TRP146
|
4.4
|
76.1
|
1.0
|
CB
|
E:TRP146
|
4.4
|
64.5
|
1.0
|
CE2
|
E:TRP146
|
4.4
|
79.5
|
1.0
|
C20
|
D:FJT302
|
4.6
|
72.4
|
0.4
|
C20
|
D:FJT302
|
4.6
|
72.5
|
0.5
|
C10
|
D:FJT302
|
4.6
|
80.6
|
0.4
|
CD1
|
E:ILE84
|
4.6
|
78.5
|
1.0
|
CB
|
E:ALA118
|
4.8
|
50.0
|
1.0
|
CG
|
E:HIS116
|
4.8
|
72.7
|
1.0
|
ND1
|
E:HIS116
|
4.8
|
71.2
|
1.0
|
CD1
|
D:LEU104
|
4.8
|
71.6
|
1.0
|
CG2
|
E:ILE84
|
4.9
|
56.9
|
1.0
|
F22
|
D:FJT302
|
4.9
|
68.2
|
0.5
|
C10
|
D:FJT302
|
5.0
|
80.4
|
0.5
|
|
Chlorine binding site 7 out
of 27 in 6h23
Go back to
Chlorine Binding Sites List in 6h23
Chlorine binding site 7 out
of 27 in the Crystal Structure of the Hclpp Y118A Mutant with An Activating Small Molecule
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 the Hclpp Y118A Mutant with An Activating Small Molecule within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl302
b:78.5
occ:0.49
|
CL1
|
D:FJT302
|
0.0
|
78.5
|
0.5
|
CL1
|
D:FJT302
|
0.7
|
78.5
|
0.4
|
C17
|
D:FJT302
|
1.8
|
76.1
|
0.5
|
C17
|
D:FJT302
|
1.8
|
76.5
|
0.4
|
N12
|
D:FJT302
|
2.4
|
79.7
|
0.4
|
C16
|
D:FJT302
|
2.5
|
76.4
|
0.4
|
C13
|
D:FJT302
|
2.6
|
80.5
|
0.4
|
C15
|
D:FJT302
|
2.7
|
77.8
|
0.4
|
C18
|
D:FJT302
|
2.8
|
73.8
|
0.5
|
C16
|
D:FJT302
|
2.8
|
76.3
|
0.5
|
C18
|
D:FJT302
|
3.0
|
73.9
|
0.4
|
C15
|
D:FJT302
|
3.0
|
76.9
|
0.5
|
O14
|
D:FJT302
|
3.1
|
82.1
|
0.5
|
C13
|
D:FJT302
|
3.4
|
79.9
|
0.5
|
N11
|
D:FJT302
|
3.4
|
80.5
|
0.4
|
O14
|
D:FJT302
|
3.5
|
81.2
|
0.4
|
C21
|
D:FJT302
|
3.9
|
75.1
|
0.4
|
C10
|
D:FJT302
|
3.9
|
80.6
|
0.4
|
C19
|
D:FJT302
|
4.0
|
72.0
|
0.5
|
C21
|
D:FJT302
|
4.0
|
74.9
|
0.5
|
CD1
|
E:TRP146
|
4.1
|
73.1
|
1.0
|
C19
|
D:FJT302
|
4.2
|
72.1
|
0.4
|
C10
|
D:FJT302
|
4.2
|
80.4
|
0.5
|
NE1
|
E:TRP146
|
4.3
|
76.1
|
1.0
|
CD1
|
E:ILE84
|
4.3
|
78.5
|
1.0
|
CG
|
E:TRP146
|
4.4
|
69.1
|
1.0
|
CB
|
E:HIS116
|
4.4
|
74.1
|
1.0
|
CD1
|
D:LEU104
|
4.5
|
71.6
|
1.0
|
C20
|
D:FJT302
|
4.5
|
72.4
|
0.4
|
C20
|
D:FJT302
|
4.6
|
72.5
|
0.5
|
N12
|
D:FJT302
|
4.6
|
77.5
|
0.5
|
CE2
|
E:TRP146
|
4.6
|
79.5
|
1.0
|
CD2
|
E:TRP146
|
4.7
|
76.1
|
1.0
|
CG
|
E:HIS116
|
4.8
|
72.7
|
1.0
|
ND1
|
E:HIS116
|
4.8
|
71.2
|
1.0
|
CG1
|
E:ILE84
|
4.9
|
75.7
|
1.0
|
O24
|
D:FJT302
|
5.0
|
82.6
|
0.5
|
CG2
|
E:ILE84
|
5.0
|
56.9
|
1.0
|
CB
|
E:TRP146
|
5.0
|
64.5
|
1.0
|
|
Chlorine binding site 8 out
of 27 in 6h23
Go back to
Chlorine Binding Sites List in 6h23
Chlorine binding site 8 out
of 27 in the Crystal Structure of the Hclpp Y118A Mutant with An Activating Small Molecule
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 the Hclpp Y118A Mutant with An Activating Small Molecule within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl301
b:72.5
occ:0.36
|
CL1
|
E:FJT301
|
0.0
|
72.5
|
0.4
|
C15
|
E:FJT301
|
0.7
|
72.2
|
0.5
|
C17
|
E:FJT301
|
1.8
|
69.6
|
0.4
|
C16
|
E:FJT301
|
1.9
|
69.3
|
0.5
|
C13
|
E:FJT301
|
2.1
|
73.8
|
0.5
|
C21
|
E:FJT301
|
2.5
|
67.2
|
0.5
|
C18
|
E:FJT301
|
2.7
|
67.6
|
0.4
|
C16
|
E:FJT301
|
2.8
|
70.3
|
0.4
|
O14
|
E:FJT301
|
3.0
|
70.8
|
0.5
|
N12
|
E:FJT301
|
3.1
|
72.5
|
0.5
|
C13
|
E:FJT301
|
3.1
|
71.5
|
0.4
|
C15
|
E:FJT301
|
3.1
|
70.5
|
0.4
|
C17
|
E:FJT301
|
3.1
|
69.7
|
0.5
|
N12
|
E:FJT301
|
3.2
|
73.1
|
0.4
|
CE2
|
E:TYR138
|
3.5
|
81.9
|
1.0
|
CZ2
|
F:TRP146
|
3.6
|
70.5
|
1.0
|
CH2
|
F:TRP146
|
3.7
|
70.4
|
1.0
|
CE2
|
F:TRP146
|
3.8
|
70.8
|
1.0
|
C20
|
E:FJT301
|
3.9
|
66.9
|
0.5
|
O14
|
E:FJT301
|
3.9
|
69.3
|
0.4
|
CL1
|
E:FJT301
|
3.9
|
67.9
|
0.5
|
OH
|
E:TYR138
|
4.0
|
83.3
|
1.0
|
CZ3
|
F:TRP146
|
4.0
|
68.4
|
1.0
|
N11
|
E:FJT301
|
4.0
|
71.2
|
0.4
|
C19
|
E:FJT301
|
4.0
|
67.4
|
0.4
|
C21
|
E:FJT301
|
4.1
|
68.3
|
0.4
|
CZ
|
E:TYR138
|
4.1
|
86.0
|
1.0
|
C10
|
E:FJT301
|
4.1
|
70.2
|
0.5
|
N11
|
E:FJT301
|
4.2
|
70.3
|
0.5
|
CD2
|
F:TRP146
|
4.2
|
71.1
|
1.0
|
CE3
|
F:TRP146
|
4.3
|
70.4
|
1.0
|
C18
|
E:FJT301
|
4.3
|
67.8
|
0.5
|
C10
|
E:FJT301
|
4.4
|
69.9
|
0.4
|
CD2
|
E:TYR138
|
4.4
|
77.1
|
1.0
|
NE1
|
F:TRP146
|
4.5
|
69.7
|
1.0
|
C20
|
E:FJT301
|
4.6
|
67.2
|
0.4
|
C19
|
E:FJT301
|
4.6
|
66.8
|
0.5
|
CG
|
F:TRP146
|
5.0
|
68.3
|
1.0
|
|
Chlorine binding site 9 out
of 27 in 6h23
Go back to
Chlorine Binding Sites List in 6h23
Chlorine binding site 9 out
of 27 in the Crystal Structure of the Hclpp Y118A Mutant with An Activating Small Molecule
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 the Hclpp Y118A Mutant with An Activating Small Molecule within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl301
b:67.9
occ:0.47
|
CL1
|
E:FJT301
|
0.0
|
67.9
|
0.5
|
C21
|
E:FJT301
|
1.3
|
68.3
|
0.4
|
C16
|
E:FJT301
|
1.3
|
70.3
|
0.4
|
C15
|
E:FJT301
|
1.5
|
70.5
|
0.4
|
C17
|
E:FJT301
|
1.8
|
69.7
|
0.5
|
C20
|
E:FJT301
|
2.7
|
67.2
|
0.4
|
C17
|
E:FJT301
|
2.7
|
69.6
|
0.4
|
C18
|
E:FJT301
|
2.7
|
67.8
|
0.5
|
C16
|
E:FJT301
|
2.8
|
69.3
|
0.5
|
C13
|
E:FJT301
|
2.8
|
71.5
|
0.4
|
N12
|
E:FJT301
|
3.0
|
72.5
|
0.5
|
C13
|
E:FJT301
|
3.1
|
73.8
|
0.5
|
C15
|
E:FJT301
|
3.2
|
72.2
|
0.5
|
O14
|
E:FJT301
|
3.4
|
69.3
|
0.4
|
C18
|
E:FJT301
|
3.5
|
67.6
|
0.4
|
C19
|
E:FJT301
|
3.5
|
67.4
|
0.4
|
N11
|
E:FJT301
|
3.8
|
70.3
|
0.5
|
O14
|
E:FJT301
|
3.8
|
70.8
|
0.5
|
CL1
|
E:FJT301
|
3.9
|
72.5
|
0.4
|
N12
|
E:FJT301
|
4.0
|
73.1
|
0.4
|
C19
|
E:FJT301
|
4.0
|
66.8
|
0.5
|
C21
|
E:FJT301
|
4.1
|
67.2
|
0.5
|
CD1
|
F:TRP146
|
4.1
|
69.1
|
1.0
|
C10
|
E:FJT301
|
4.2
|
70.2
|
0.5
|
CB
|
F:HIS116
|
4.3
|
65.8
|
1.0
|
CD1
|
F:ILE84
|
4.3
|
63.2
|
1.0
|
CG
|
F:TRP146
|
4.4
|
68.3
|
1.0
|
NE1
|
F:TRP146
|
4.4
|
69.7
|
1.0
|
CG2
|
F:ILE84
|
4.5
|
60.3
|
1.0
|
C20
|
E:FJT301
|
4.6
|
66.9
|
0.5
|
CB
|
F:ALA118
|
4.7
|
50.0
|
1.0
|
C10
|
E:FJT301
|
4.7
|
69.9
|
0.4
|
CD1
|
E:LEU104
|
4.8
|
70.6
|
1.0
|
CD2
|
F:TRP146
|
4.8
|
71.1
|
1.0
|
CE2
|
F:TRP146
|
4.8
|
70.8
|
1.0
|
CG1
|
F:ILE84
|
4.8
|
64.2
|
1.0
|
CB
|
F:TRP146
|
4.8
|
64.1
|
1.0
|
F22
|
E:FJT301
|
4.8
|
66.1
|
0.4
|
CG
|
F:HIS116
|
4.9
|
73.0
|
1.0
|
ND1
|
F:HIS116
|
5.0
|
78.0
|
1.0
|
N11
|
E:FJT301
|
5.0
|
71.2
|
0.4
|
|
Chlorine binding site 10 out
of 27 in 6h23
Go back to
Chlorine Binding Sites List in 6h23
Chlorine binding site 10 out
of 27 in the Crystal Structure of the Hclpp Y118A Mutant with An Activating Small Molecule
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 the Hclpp Y118A Mutant with An Activating Small Molecule within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl301
b:81.3
occ:0.47
|
CL1
|
F:FJT301
|
0.0
|
81.3
|
0.5
|
C21
|
F:FJT301
|
1.5
|
76.1
|
0.4
|
C17
|
F:FJT301
|
1.8
|
75.6
|
0.5
|
N12
|
F:FJT301
|
2.4
|
78.9
|
0.4
|
C16
|
F:FJT301
|
2.5
|
77.3
|
0.4
|
C20
|
F:FJT301
|
2.6
|
73.7
|
0.4
|
C16
|
F:FJT301
|
2.7
|
76.8
|
0.5
|
C18
|
F:FJT301
|
2.8
|
73.5
|
0.5
|
C15
|
F:FJT301
|
2.8
|
79.3
|
0.4
|
C13
|
F:FJT301
|
2.9
|
79.4
|
0.4
|
C15
|
F:FJT301
|
3.0
|
79.0
|
0.5
|
N12
|
F:FJT301
|
3.1
|
78.6
|
0.5
|
CE1
|
F:TYR138
|
3.2
|
99.6
|
1.0
|
C13
|
F:FJT301
|
3.4
|
79.5
|
0.5
|
CZ
|
F:TYR138
|
3.5
|
95.4
|
1.0
|
CD1
|
F:TYR138
|
3.6
|
89.2
|
1.0
|
N11
|
F:FJT301
|
3.7
|
79.2
|
0.4
|
C17
|
F:FJT301
|
3.8
|
77.5
|
0.4
|
OH
|
F:TYR138
|
3.8
|
91.8
|
1.0
|
C19
|
F:FJT301
|
3.8
|
73.9
|
0.4
|
CH2
|
G:TRP146
|
3.9
|
82.5
|
1.0
|
C21
|
F:FJT301
|
4.0
|
77.8
|
0.5
|
C19
|
F:FJT301
|
4.0
|
74.1
|
0.5
|
CZ3
|
G:TRP146
|
4.1
|
77.1
|
1.0
|
CZ2
|
G:TRP146
|
4.1
|
82.0
|
1.0
|
CE2
|
F:TYR138
|
4.1
|
90.9
|
1.0
|
O14
|
F:FJT301
|
4.2
|
79.2
|
0.4
|
C18
|
F:FJT301
|
4.3
|
76.8
|
0.4
|
CG
|
F:TYR138
|
4.3
|
86.5
|
1.0
|
N11
|
F:FJT301
|
4.4
|
80.0
|
0.5
|
CD2
|
F:LEU104
|
4.4
|
76.9
|
1.0
|
CE3
|
G:TRP146
|
4.5
|
75.8
|
1.0
|
CD2
|
F:TYR138
|
4.5
|
92.5
|
1.0
|
C10
|
F:FJT301
|
4.5
|
80.0
|
0.4
|
C20
|
F:FJT301
|
4.5
|
76.8
|
0.5
|
CE2
|
G:TRP146
|
4.5
|
77.4
|
1.0
|
O14
|
F:FJT301
|
4.7
|
78.5
|
0.5
|
CD2
|
G:TRP146
|
4.7
|
77.5
|
1.0
|
F22
|
F:FJT301
|
5.0
|
71.2
|
0.4
|
|
Reference:
M.Stahl,
V.S.Korotkov,
D.Balogh,
L.M.Kick,
M.Gersch,
A.Pahl,
P.Kielkowski,
K.Richter,
S.Schneider,
S.A.Sieber.
Selective Activation of Human Caseinolytic Protease P (Clpp). Angew. Chem. Int. Ed. Engl. V. 57 14602 2018.
ISSN: ESSN 1521-3773
PubMed: 30129683
DOI: 10.1002/ANIE.201808189
Page generated: Sun Jul 28 00:23:55 2024
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