Chlorine in PDB 8a2c: The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis
Protein crystallography data
The structure of The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis, PDB code: 8a2c
was solved by
E.Costanzi,
V.Applegate,
A.Port,
S.H.J.Smits,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
31.51 /
1.60
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
46.038,
110.002,
47.962,
90,
95.74,
90
|
|
R / Rfree (%)
|
14.6 /
17.9
|
Other elements in 8a2c:
The structure of The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis
(pdb code 8a2c). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the
The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis, PDB code: 8a2c:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 10 in 8a2c
Go back to
Chlorine Binding Sites List in 8a2c
Chlorine binding site 1 out
of 10 in the The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl606
b:19.9
occ:1.00
|
HG
|
A:SER61
|
2.3
|
31.6
|
1.0
|
|
H
|
A:SER61
|
2.5
|
16.6
|
1.0
|
|
HB
|
A:THR59
|
3.0
|
21.4
|
1.0
|
|
HB
|
A:THR60
|
3.0
|
24.2
|
1.0
|
|
OG
|
A:SER61
|
3.1
|
26.3
|
1.0
|
|
N
|
A:SER61
|
3.3
|
13.8
|
1.0
|
|
HB2
|
A:SER61
|
3.4
|
25.4
|
1.0
|
|
H
|
A:THR60
|
3.6
|
19.7
|
1.0
|
|
O
|
A:HOH1018
|
3.6
|
37.8
|
1.0
|
|
CB
|
A:SER61
|
3.7
|
21.1
|
1.0
|
|
HG1
|
A:THR59
|
3.8
|
19.1
|
1.0
|
|
CB
|
A:THR59
|
3.8
|
17.8
|
1.0
|
|
CB
|
A:THR60
|
3.9
|
20.2
|
1.0
|
|
N
|
A:THR60
|
3.9
|
16.4
|
1.0
|
|
OG1
|
A:THR59
|
4.0
|
15.9
|
1.0
|
|
CA
|
A:SER61
|
4.1
|
16.2
|
1.0
|
|
O
|
A:HOH904
|
4.1
|
28.1
|
1.0
|
|
CA
|
A:THR60
|
4.2
|
15.4
|
1.0
|
|
C
|
A:THR60
|
4.2
|
12.5
|
1.0
|
|
HG22
|
A:THR60
|
4.2
|
24.9
|
1.0
|
|
O
|
A:HOH730
|
4.4
|
29.1
|
1.0
|
|
HA
|
A:SER61
|
4.5
|
19.4
|
1.0
|
|
HG21
|
A:THR59
|
4.5
|
25.1
|
1.0
|
|
O
|
A:HOH936
|
4.5
|
45.0
|
1.0
|
|
HB3
|
A:SER61
|
4.6
|
25.4
|
1.0
|
|
C
|
A:THR59
|
4.6
|
14.6
|
1.0
|
|
CG2
|
A:THR60
|
4.6
|
20.7
|
1.0
|
|
CG2
|
A:THR59
|
4.7
|
20.9
|
1.0
|
|
CA
|
A:THR59
|
4.8
|
15.9
|
1.0
|
|
OG1
|
A:THR60
|
4.9
|
23.1
|
1.0
|
|
HG21
|
A:THR60
|
4.9
|
24.9
|
1.0
|
|
H
|
A:SER62
|
5.0
|
15.1
|
1.0
|
|
HG22
|
A:THR59
|
5.0
|
25.1
|
1.0
|
|
Chlorine binding site 2 out
of 10 in 8a2c
Go back to
Chlorine Binding Sites List in 8a2c
Chlorine binding site 2 out
of 10 in the The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl607
b:25.6
occ:1.00
|
HG1
|
A:THR60
|
2.3
|
27.7
|
1.0
|
|
HG21
|
A:THR60
|
3.1
|
24.9
|
1.0
|
|
OG1
|
A:THR60
|
3.1
|
23.1
|
1.0
|
|
CG2
|
A:THR60
|
3.9
|
20.7
|
1.0
|
|
CB
|
A:THR60
|
3.9
|
20.2
|
1.0
|
|
O
|
A:HOH805
|
4.0
|
30.7
|
1.0
|
|
HB
|
A:THR60
|
4.1
|
24.2
|
1.0
|
|
O
|
A:HOH932
|
4.2
|
42.0
|
1.0
|
|
HG23
|
A:THR60
|
4.3
|
24.9
|
1.0
|
|
HG22
|
A:THR60
|
4.6
|
24.9
|
1.0
|
|
Chlorine binding site 3 out
of 10 in 8a2c
Go back to
Chlorine Binding Sites List in 8a2c
Chlorine binding site 3 out
of 10 in the The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl608
b:26.4
occ:1.00
|
HH
|
A:TYR156
|
2.3
|
27.8
|
1.0
|
|
H
|
A:SER162
|
2.3
|
17.3
|
1.0
|
|
HG
|
A:SER162
|
2.6
|
23.6
|
1.0
|
|
HB2
|
A:SER161
|
3.0
|
15.2
|
1.0
|
|
OH
|
A:TYR156
|
3.1
|
23.2
|
1.0
|
|
HG22
|
A:VAL77
|
3.1
|
26.1
|
1.0
|
|
HA
|
A:SER161
|
3.1
|
17.4
|
1.0
|
|
N
|
A:SER162
|
3.2
|
14.4
|
1.0
|
|
HE2
|
A:TYR156
|
3.4
|
19.9
|
1.0
|
|
OG
|
A:SER162
|
3.4
|
19.6
|
1.0
|
|
HB3
|
A:SER162
|
3.4
|
20.1
|
1.0
|
|
HG11
|
A:VAL75
|
3.5
|
33.1
|
1.0
|
|
HD12
|
A:ILE90
|
3.7
|
17.8
|
1.0
|
|
CA
|
A:SER161
|
3.7
|
14.5
|
1.0
|
|
HD11
|
A:ILE90
|
3.7
|
17.8
|
1.0
|
|
CB
|
A:SER161
|
3.7
|
12.7
|
1.0
|
|
CB
|
A:SER162
|
3.8
|
16.8
|
1.0
|
|
HG12
|
A:VAL75
|
3.8
|
33.1
|
1.0
|
|
CG2
|
A:VAL77
|
3.9
|
21.7
|
1.0
|
|
HG21
|
A:VAL77
|
3.9
|
26.1
|
1.0
|
|
CZ
|
A:TYR156
|
3.9
|
16.1
|
1.0
|
|
CE2
|
A:TYR156
|
4.0
|
16.6
|
1.0
|
|
C
|
A:SER161
|
4.0
|
17.0
|
1.0
|
|
CA
|
A:SER162
|
4.1
|
16.0
|
1.0
|
|
CD1
|
A:ILE90
|
4.1
|
14.9
|
1.0
|
|
CG1
|
A:VAL75
|
4.1
|
27.6
|
1.0
|
|
HG23
|
A:VAL77
|
4.3
|
26.1
|
1.0
|
|
HB3
|
A:SER161
|
4.3
|
15.2
|
1.0
|
|
HD13
|
A:ILE90
|
4.5
|
17.8
|
1.0
|
|
OG
|
A:SER161
|
4.7
|
14.8
|
1.0
|
|
HB2
|
A:SER162
|
4.7
|
20.1
|
1.0
|
|
HA
|
A:SER162
|
4.7
|
19.2
|
1.0
|
|
HG13
|
A:VAL77
|
4.8
|
24.9
|
1.0
|
|
H
|
A:VAL163
|
4.8
|
18.6
|
1.0
|
|
HB
|
A:VAL75
|
4.8
|
21.9
|
1.0
|
|
HG13
|
A:VAL75
|
4.8
|
33.1
|
1.0
|
|
Chlorine binding site 4 out
of 10 in 8a2c
Go back to
Chlorine Binding Sites List in 8a2c
Chlorine binding site 4 out
of 10 in the The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl609
b:13.2
occ:1.00
|
HG
|
A:SER193
|
2.3
|
18.2
|
1.0
|
|
HG
|
B:SER193
|
2.3
|
20.4
|
1.0
|
|
H
|
A:SER193
|
2.6
|
15.1
|
1.0
|
|
H
|
B:SER193
|
2.6
|
13.4
|
1.0
|
|
HG3
|
A:ARG191
|
2.7
|
12.1
|
1.0
|
|
HG3
|
B:ARG191
|
2.7
|
16.0
|
1.0
|
|
OG
|
A:SER193
|
3.0
|
15.2
|
1.0
|
|
OG
|
B:SER193
|
3.0
|
17.0
|
1.0
|
|
HA
|
A:ARG191
|
3.0
|
13.7
|
1.0
|
|
HD2
|
B:PRO192
|
3.0
|
14.3
|
1.0
|
|
HB3
|
A:SER193
|
3.0
|
16.8
|
1.0
|
|
HD2
|
A:PRO192
|
3.1
|
15.8
|
1.0
|
|
HA
|
B:ARG191
|
3.1
|
13.7
|
1.0
|
|
HB3
|
B:SER193
|
3.1
|
17.6
|
1.0
|
|
N
|
A:SER193
|
3.4
|
12.6
|
1.0
|
|
N
|
B:SER193
|
3.4
|
11.2
|
1.0
|
|
CB
|
A:SER193
|
3.5
|
14.0
|
1.0
|
|
CB
|
B:SER193
|
3.5
|
14.7
|
1.0
|
|
CG
|
A:ARG191
|
3.5
|
10.1
|
1.0
|
|
HG2
|
A:ARG191
|
3.5
|
12.1
|
1.0
|
|
CG
|
B:ARG191
|
3.5
|
13.3
|
1.0
|
|
HG2
|
A:PRO192
|
3.5
|
19.9
|
1.0
|
|
HG2
|
B:PRO192
|
3.6
|
17.5
|
1.0
|
|
HG2
|
B:ARG191
|
3.6
|
16.0
|
1.0
|
|
CD
|
B:PRO192
|
3.7
|
11.9
|
1.0
|
|
N
|
B:PRO192
|
3.7
|
10.5
|
1.0
|
|
CD
|
A:PRO192
|
3.7
|
13.1
|
1.0
|
|
N
|
A:PRO192
|
3.8
|
11.4
|
1.0
|
|
CA
|
A:ARG191
|
3.8
|
11.4
|
1.0
|
|
CA
|
B:ARG191
|
3.8
|
11.4
|
1.0
|
|
C
|
A:ARG191
|
3.8
|
12.6
|
1.0
|
|
C
|
B:ARG191
|
3.8
|
10.9
|
1.0
|
|
CA
|
A:SER193
|
4.0
|
12.5
|
1.0
|
|
CA
|
B:SER193
|
4.1
|
12.9
|
1.0
|
|
CG
|
A:PRO192
|
4.1
|
16.6
|
1.0
|
|
CG
|
B:PRO192
|
4.1
|
14.6
|
1.0
|
|
CB
|
A:ARG191
|
4.2
|
11.8
|
1.0
|
|
CB
|
B:ARG191
|
4.2
|
12.3
|
1.0
|
|
HB2
|
A:SER193
|
4.3
|
16.8
|
1.0
|
|
HB2
|
B:SER193
|
4.4
|
17.6
|
1.0
|
|
C
|
A:PRO192
|
4.4
|
12.1
|
1.0
|
|
C
|
B:PRO192
|
4.4
|
15.2
|
1.0
|
|
O
|
A:ARG191
|
4.5
|
11.9
|
1.0
|
|
HD3
|
B:PRO192
|
4.6
|
14.3
|
1.0
|
|
CA
|
B:PRO192
|
4.6
|
12.4
|
1.0
|
|
O
|
B:ARG191
|
4.6
|
11.1
|
1.0
|
|
HD3
|
A:PRO192
|
4.6
|
15.8
|
1.0
|
|
CA
|
A:PRO192
|
4.6
|
12.3
|
1.0
|
|
HD3
|
A:ARG191
|
4.6
|
15.2
|
1.0
|
|
CD
|
A:ARG191
|
4.6
|
12.7
|
1.0
|
|
HB2
|
A:ARG191
|
4.6
|
14.1
|
1.0
|
|
HD3
|
B:ARG191
|
4.6
|
18.3
|
1.0
|
|
HA
|
A:SER193
|
4.6
|
15.0
|
1.0
|
|
CD
|
B:ARG191
|
4.6
|
15.3
|
1.0
|
|
HB2
|
B:ARG191
|
4.7
|
14.8
|
1.0
|
|
HA
|
B:SER193
|
4.7
|
15.5
|
1.0
|
|
O
|
A:SER190
|
4.8
|
12.2
|
1.0
|
|
HE
|
B:ARG191
|
4.8
|
14.2
|
1.0
|
|
O
|
B:SER190
|
4.8
|
11.7
|
1.0
|
|
HG3
|
A:PRO192
|
4.8
|
19.9
|
1.0
|
|
HG3
|
B:PRO192
|
4.9
|
17.5
|
1.0
|
|
HE
|
A:ARG191
|
4.9
|
14.3
|
1.0
|
|
H
|
A:LEU194
|
4.9
|
13.2
|
1.0
|
|
H
|
B:LEU194
|
4.9
|
13.4
|
1.0
|
|
HB3
|
A:ARG191
|
4.9
|
14.1
|
1.0
|
|
CB
|
B:PRO192
|
5.0
|
13.8
|
1.0
|
|
Chlorine binding site 5 out
of 10 in 8a2c
Go back to
Chlorine Binding Sites List in 8a2c
Chlorine binding site 5 out
of 10 in the The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl610
b:33.6
occ:1.00
|
H
|
A:LYS207
|
2.4
|
20.3
|
1.0
|
|
H
|
A:THR208
|
3.0
|
21.6
|
1.0
|
|
N
|
A:LYS207
|
3.2
|
16.9
|
1.0
|
|
HB2
|
A:LYS207
|
3.4
|
20.8
|
1.0
|
|
HA
|
A:THR206
|
3.4
|
19.4
|
1.0
|
|
HG23
|
A:THR206
|
3.4
|
25.6
|
1.0
|
|
HB
|
A:THR208
|
3.5
|
27.8
|
1.0
|
|
OG1
|
A:THR208
|
3.5
|
28.2
|
1.0
|
|
N
|
A:THR208
|
3.6
|
18.0
|
1.0
|
|
HG1
|
A:THR208
|
3.7
|
33.8
|
1.0
|
|
HG2
|
A:LYS207
|
3.8
|
21.8
|
1.0
|
|
CB
|
A:THR208
|
3.9
|
23.2
|
1.0
|
|
CA
|
A:LYS207
|
4.0
|
18.9
|
1.0
|
|
CB
|
A:LYS207
|
4.0
|
17.3
|
1.0
|
|
C
|
A:THR206
|
4.2
|
16.4
|
1.0
|
|
C
|
A:LYS207
|
4.2
|
17.2
|
1.0
|
|
CA
|
A:THR206
|
4.2
|
16.2
|
1.0
|
|
CG2
|
A:THR206
|
4.3
|
21.3
|
1.0
|
|
CA
|
A:THR208
|
4.4
|
20.1
|
1.0
|
|
O
|
A:HOH973
|
4.4
|
46.1
|
1.0
|
|
CG
|
A:LYS207
|
4.4
|
18.2
|
1.0
|
|
HG22
|
A:THR206
|
4.5
|
25.6
|
1.0
|
|
O
|
A:LEU205
|
4.7
|
16.5
|
1.0
|
|
CB
|
A:THR206
|
4.8
|
18.6
|
1.0
|
|
HA
|
A:LYS207
|
4.9
|
22.7
|
1.0
|
|
HB3
|
A:LYS207
|
4.9
|
20.8
|
1.0
|
|
HG3
|
A:LYS207
|
4.9
|
21.8
|
1.0
|
|
O
|
A:HOH1002
|
4.9
|
48.2
|
1.0
|
|
HG21
|
A:THR206
|
5.0
|
25.6
|
1.0
|
|
Chlorine binding site 6 out
of 10 in 8a2c
Go back to
Chlorine Binding Sites List in 8a2c
Chlorine binding site 6 out
of 10 in the The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl611
b:20.5
occ:1.00
|
H
|
A:HIS256
|
2.4
|
18.3
|
1.0
|
|
H
|
A:THR225
|
2.4
|
17.3
|
1.0
|
|
HG1
|
A:THR225
|
2.6
|
26.2
|
1.0
|
|
HB2
|
A:SER255
|
3.0
|
19.4
|
1.0
|
|
HA
|
A:ASP224
|
3.0
|
14.8
|
1.0
|
|
HB2
|
A:HIS256
|
3.0
|
19.7
|
1.0
|
|
N
|
A:HIS256
|
3.2
|
15.3
|
1.0
|
|
O
|
A:HOH877
|
3.3
|
33.3
|
1.0
|
|
N
|
A:THR225
|
3.3
|
14.4
|
1.0
|
|
HG23
|
A:VAL226
|
3.4
|
23.1
|
1.0
|
|
OG1
|
A:THR225
|
3.4
|
21.9
|
1.0
|
|
HB3
|
A:HIS256
|
3.5
|
19.7
|
1.0
|
|
HA
|
A:SER255
|
3.5
|
15.4
|
1.0
|
|
HG23
|
A:THR225
|
3.5
|
32.9
|
1.0
|
|
CB
|
A:HIS256
|
3.6
|
16.4
|
1.0
|
|
H
|
A:VAL226
|
3.8
|
16.4
|
1.0
|
|
CB
|
A:SER255
|
3.8
|
16.2
|
1.0
|
|
CA
|
A:ASP224
|
3.9
|
12.3
|
1.0
|
|
CA
|
A:SER255
|
4.0
|
12.8
|
1.0
|
|
HE2
|
A:PHE257
|
4.0
|
26.6
|
1.0
|
|
O
|
A:ALA223
|
4.0
|
14.8
|
1.0
|
|
CA
|
A:HIS256
|
4.1
|
13.3
|
1.0
|
|
C
|
A:ASP224
|
4.1
|
13.7
|
1.0
|
|
C
|
A:SER255
|
4.1
|
13.1
|
1.0
|
|
OD1
|
A:ASP224
|
4.1
|
14.6
|
1.0
|
|
CB
|
A:THR225
|
4.2
|
21.8
|
1.0
|
|
CA
|
A:THR225
|
4.2
|
17.4
|
1.0
|
|
CG2
|
A:THR225
|
4.3
|
27.4
|
1.0
|
|
HB3
|
A:SER255
|
4.3
|
19.4
|
1.0
|
|
CG2
|
A:VAL226
|
4.3
|
19.2
|
1.0
|
|
CE2
|
A:PHE257
|
4.4
|
22.2
|
1.0
|
|
N
|
A:VAL226
|
4.4
|
13.7
|
1.0
|
|
HG21
|
A:VAL226
|
4.6
|
23.1
|
1.0
|
|
HA
|
A:HIS256
|
4.7
|
16.0
|
1.0
|
|
CG
|
A:ASP224
|
4.7
|
14.6
|
1.0
|
|
N
|
A:ASP224
|
4.7
|
13.0
|
1.0
|
|
HG21
|
A:THR225
|
4.7
|
32.9
|
1.0
|
|
C
|
A:ALA223
|
4.7
|
13.1
|
1.0
|
|
OG
|
A:SER255
|
4.7
|
17.6
|
1.0
|
|
HD2
|
A:PHE257
|
4.7
|
19.4
|
1.0
|
|
H
|
A:PHE257
|
4.8
|
18.0
|
1.0
|
|
C
|
A:THR225
|
4.8
|
17.4
|
1.0
|
|
CD2
|
A:PHE257
|
4.8
|
16.2
|
1.0
|
|
HB
|
A:VAL226
|
4.8
|
17.2
|
1.0
|
|
CB
|
A:ASP224
|
4.9
|
13.7
|
1.0
|
|
HG22
|
A:VAL226
|
4.9
|
23.1
|
1.0
|
|
CG
|
A:HIS256
|
4.9
|
15.4
|
1.0
|
|
HG
|
A:SER255
|
5.0
|
21.1
|
1.0
|
|
HG22
|
A:THR225
|
5.0
|
32.9
|
1.0
|
|
Chlorine binding site 7 out
of 10 in 8a2c
Go back to
Chlorine Binding Sites List in 8a2c
Chlorine binding site 7 out
of 10 in the The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl612
b:22.7
occ:1.00
|
HG
|
A:SER295
|
2.3
|
16.0
|
1.0
|
|
HG
|
A:SER297
|
3.1
|
26.0
|
1.0
|
|
OG
|
A:SER295
|
3.1
|
13.3
|
1.0
|
|
O
|
A:HOH789
|
3.1
|
22.1
|
1.0
|
|
O
|
A:HOH819
|
3.3
|
21.5
|
1.0
|
|
O
|
A:HOH766
|
3.3
|
21.4
|
1.0
|
|
HB3
|
A:SER295
|
3.3
|
17.0
|
1.0
|
|
HB2
|
A:SER295
|
3.5
|
17.0
|
1.0
|
|
OG
|
A:SER297
|
3.5
|
21.6
|
1.0
|
|
CB
|
A:SER295
|
3.5
|
14.2
|
1.0
|
|
HD12
|
A:ILE298
|
3.9
|
17.3
|
1.0
|
|
HD11
|
A:ILE298
|
3.9
|
17.3
|
1.0
|
|
HG13
|
A:ILE298
|
4.0
|
16.0
|
1.0
|
|
CD1
|
A:ILE298
|
4.3
|
14.4
|
1.0
|
|
H
|
A:SER297
|
4.5
|
16.8
|
1.0
|
|
HZ3
|
A:LYS268
|
4.5
|
29.3
|
1.0
|
|
HH
|
A:TYR269
|
4.6
|
19.2
|
1.0
|
|
CG1
|
A:ILE298
|
4.7
|
13.3
|
1.0
|
|
CB
|
A:SER297
|
4.8
|
15.8
|
1.0
|
|
HB
|
A:ILE298
|
4.9
|
15.0
|
1.0
|
|
Chlorine binding site 8 out
of 10 in 8a2c
Go back to
Chlorine Binding Sites List in 8a2c
Chlorine binding site 8 out
of 10 in the The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl503
b:15.8
occ:1.00
|
HG1
|
B:THR60
|
2.4
|
18.0
|
0.5
|
|
H
|
B:THR60
|
2.5
|
19.2
|
0.6
|
|
H
|
B:THR60
|
2.5
|
19.2
|
0.5
|
|
HG1
|
B:THR60
|
2.7
|
20.9
|
0.6
|
|
HG23
|
B:THR60
|
2.7
|
21.2
|
0.5
|
|
OG1
|
B:THR60
|
3.1
|
15.0
|
0.5
|
|
O
|
B:HOH771
|
3.2
|
26.2
|
1.0
|
|
HB
|
B:THR60
|
3.3
|
23.1
|
0.6
|
|
OG1
|
B:THR60
|
3.4
|
17.4
|
0.6
|
|
HB
|
B:THR59
|
3.4
|
16.4
|
1.0
|
|
N
|
B:THR60
|
3.4
|
16.0
|
0.6
|
|
N
|
B:THR60
|
3.4
|
16.0
|
0.5
|
|
CG2
|
B:THR60
|
3.5
|
17.7
|
0.5
|
|
HG21
|
B:THR60
|
3.6
|
21.2
|
0.5
|
|
CB
|
B:THR60
|
3.7
|
19.3
|
0.6
|
|
CB
|
B:THR60
|
3.7
|
19.2
|
0.5
|
|
HA
|
B:THR59
|
3.8
|
16.7
|
1.0
|
|
CA
|
B:THR60
|
4.2
|
18.9
|
0.6
|
|
CA
|
B:THR60
|
4.2
|
18.9
|
0.5
|
|
CB
|
B:THR59
|
4.2
|
13.7
|
1.0
|
|
CA
|
B:THR59
|
4.3
|
13.9
|
1.0
|
|
HG22
|
B:THR60
|
4.3
|
21.2
|
0.5
|
|
C
|
B:THR59
|
4.3
|
14.1
|
1.0
|
|
H
|
B:SER61
|
4.3
|
19.0
|
0.5
|
|
H
|
B:SER61
|
4.4
|
19.0
|
0.6
|
|
HG22
|
B:THR59
|
4.5
|
19.2
|
1.0
|
|
HB
|
B:THR60
|
4.6
|
23.1
|
0.5
|
|
HA
|
B:THR60
|
4.8
|
22.7
|
0.6
|
|
HA
|
B:THR60
|
4.8
|
22.7
|
0.5
|
|
CG2
|
B:THR59
|
4.9
|
16.0
|
1.0
|
|
N
|
B:SER61
|
5.0
|
15.9
|
1.0
|
|
Chlorine binding site 9 out
of 10 in 8a2c
Go back to
Chlorine Binding Sites List in 8a2c
Chlorine binding site 9 out
of 10 in the The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl504
b:24.9
occ:1.00
|
H
|
B:HIS256
|
2.4
|
21.1
|
1.0
|
|
H
|
B:THR225
|
2.4
|
20.4
|
1.0
|
|
HG1
|
B:THR225
|
2.4
|
30.0
|
1.0
|
|
HB2
|
B:HIS256
|
3.0
|
20.4
|
1.0
|
|
HB2
|
B:SER255
|
3.0
|
28.0
|
1.0
|
|
HA
|
B:ASP224
|
3.1
|
21.4
|
1.0
|
|
N
|
B:HIS256
|
3.2
|
17.6
|
1.0
|
|
N
|
B:THR225
|
3.2
|
17.0
|
1.0
|
|
OG1
|
B:THR225
|
3.3
|
25.0
|
1.0
|
|
HB3
|
B:HIS256
|
3.4
|
20.4
|
1.0
|
|
HG23
|
B:THR225
|
3.4
|
24.0
|
1.0
|
|
HG23
|
B:VAL226
|
3.4
|
25.0
|
1.0
|
|
HA
|
B:SER255
|
3.5
|
24.2
|
1.0
|
|
O
|
B:HOH637
|
3.6
|
34.9
|
1.0
|
|
CB
|
B:HIS256
|
3.6
|
17.0
|
1.0
|
|
H
|
B:VAL226
|
3.7
|
26.4
|
1.0
|
|
CB
|
B:SER255
|
3.9
|
23.4
|
1.0
|
|
CA
|
B:ASP224
|
3.9
|
17.8
|
1.0
|
|
O
|
B:ALA223
|
4.0
|
19.9
|
1.0
|
|
CA
|
B:SER255
|
4.0
|
20.1
|
1.0
|
|
CB
|
B:THR225
|
4.0
|
21.1
|
1.0
|
|
CA
|
B:HIS256
|
4.1
|
16.2
|
1.0
|
|
C
|
B:ASP224
|
4.1
|
18.1
|
1.0
|
|
CA
|
B:THR225
|
4.1
|
18.6
|
1.0
|
|
C
|
B:SER255
|
4.1
|
14.9
|
1.0
|
|
CG2
|
B:THR225
|
4.2
|
20.0
|
1.0
|
|
OD1
|
B:ASP224
|
4.2
|
19.0
|
1.0
|
|
HE2
|
B:PHE257
|
4.2
|
40.6
|
1.0
|
|
N
|
B:VAL226
|
4.3
|
22.0
|
1.0
|
|
CG2
|
B:VAL226
|
4.4
|
20.8
|
1.0
|
|
HB3
|
B:SER255
|
4.5
|
28.0
|
1.0
|
|
HD2
|
B:PHE257
|
4.5
|
34.9
|
1.0
|
|
HA
|
B:HIS256
|
4.6
|
19.4
|
1.0
|
|
HG21
|
B:THR225
|
4.6
|
24.0
|
1.0
|
|
HG21
|
B:VAL226
|
4.6
|
25.0
|
1.0
|
|
C
|
B:THR225
|
4.6
|
23.9
|
1.0
|
|
HB
|
B:VAL226
|
4.7
|
21.9
|
1.0
|
|
CE2
|
B:PHE257
|
4.7
|
33.9
|
1.0
|
|
CG
|
B:ASP224
|
4.7
|
15.9
|
1.0
|
|
H
|
B:PHE257
|
4.7
|
21.5
|
1.0
|
|
OG
|
B:SER255
|
4.7
|
20.3
|
1.0
|
|
C
|
B:ALA223
|
4.8
|
16.6
|
1.0
|
|
N
|
B:ASP224
|
4.8
|
18.1
|
1.0
|
|
HG22
|
B:THR225
|
4.9
|
24.0
|
1.0
|
|
CD2
|
B:PHE257
|
4.9
|
29.1
|
1.0
|
|
CG
|
B:HIS256
|
4.9
|
20.5
|
1.0
|
|
CB
|
B:ASP224
|
4.9
|
17.7
|
1.0
|
|
HG22
|
B:VAL226
|
4.9
|
25.0
|
1.0
|
|
HB
|
B:THR225
|
5.0
|
25.3
|
1.0
|
|
HA
|
B:THR225
|
5.0
|
22.4
|
1.0
|
|
Chlorine binding site 10 out
of 10 in 8a2c
Go back to
Chlorine Binding Sites List in 8a2c
Chlorine binding site 10 out
of 10 in the The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis
 Mono view
 Stereo pair view
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|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of The Crystal Structure of the S178A Mutant of PET40, A Petase Enzyme From An Unclassified Amycolatopsis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl505
b:34.6
occ:1.00
|
H
|
B:SER162
|
2.5
|
27.6
|
1.0
|
|
HG
|
B:SER162
|
2.5
|
34.3
|
1.0
|
|
OH
|
B:TYR156
|
3.0
|
21.9
|
1.0
|
|
HB2
|
B:SER161
|
3.1
|
19.7
|
1.0
|
|
HG11
|
B:VAL75
|
3.1
|
36.6
|
1.0
|
|
HG22
|
B:VAL77
|
3.2
|
22.0
|
1.0
|
|
HA
|
B:SER161
|
3.2
|
19.9
|
1.0
|
|
OG
|
B:SER162
|
3.3
|
28.6
|
1.0
|
|
N
|
B:SER162
|
3.3
|
23.0
|
1.0
|
|
HE2
|
B:TYR156
|
3.4
|
21.4
|
1.0
|
|
HH
|
B:TYR156
|
3.5
|
26.3
|
1.0
|
|
O
|
B:HOH821
|
3.5
|
45.8
|
1.0
|
|
HD12
|
B:ILE90
|
3.5
|
20.5
|
1.0
|
|
HG12
|
B:VAL75
|
3.5
|
36.6
|
1.0
|
|
CG1
|
B:VAL75
|
3.8
|
30.5
|
1.0
|
|
HB3
|
B:SER162
|
3.8
|
29.6
|
1.0
|
|
CA
|
B:SER161
|
3.9
|
16.6
|
1.0
|
|
CZ
|
B:TYR156
|
3.9
|
22.5
|
1.0
|
|
HD11
|
B:ILE90
|
3.9
|
20.5
|
1.0
|
|
CB
|
B:SER161
|
3.9
|
16.4
|
1.0
|
|
CE2
|
B:TYR156
|
3.9
|
17.9
|
1.0
|
|
HG21
|
B:VAL77
|
4.0
|
22.0
|
1.0
|
|
CG2
|
B:VAL77
|
4.0
|
18.3
|
1.0
|
|
CB
|
B:SER162
|
4.0
|
24.7
|
1.0
|
|
CD1
|
B:ILE90
|
4.1
|
17.1
|
1.0
|
|
C
|
B:SER161
|
4.1
|
18.0
|
1.0
|
|
CA
|
B:SER162
|
4.3
|
22.7
|
1.0
|
|
HB3
|
B:SER161
|
4.4
|
19.7
|
1.0
|
|
HG23
|
B:VAL77
|
4.4
|
22.0
|
1.0
|
|
HG13
|
B:VAL75
|
4.4
|
36.6
|
1.0
|
|
HD13
|
B:ILE90
|
4.5
|
20.5
|
1.0
|
|
HB
|
B:VAL75
|
4.6
|
28.0
|
1.0
|
|
H
|
B:VAL163
|
4.8
|
20.9
|
1.0
|
|
HG21
|
B:VAL75
|
4.8
|
45.5
|
1.0
|
|
CB
|
B:VAL75
|
4.8
|
23.3
|
1.0
|
|
HG13
|
B:VAL77
|
4.8
|
23.2
|
1.0
|
|
O
|
B:HOH781
|
4.9
|
47.0
|
1.0
|
|
HB2
|
B:SER162
|
4.9
|
29.6
|
1.0
|
|
OG
|
B:SER161
|
4.9
|
16.9
|
1.0
|
|
HA
|
B:SER162
|
4.9
|
27.3
|
1.0
|
|
Reference:
H.Zhang,
R.Dierkes,
P.Perez-Garcia,
V.Applegate,
E.Costanzi,
K.Partus,
M.Gurschke,
C.Schmeisser,
S.H.J.Smits,
J.Chow,
W.R.Streit.
The Metagenome-Derived Esterase PET40 Hydrolyses Polyethylene Terephthalate (Pet) and Is Well Conserved in the Gc-Rich Gram-Positives Amycolatopsis and Streptomyces To Be Published.
Page generated: Sun Jul 13 08:58:42 2025
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