Chlorine in PDB 7sxl: Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag
Enzymatic activity of Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag
All present enzymatic activity of Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag:
2.7.7.7;
Protein crystallography data
The structure of Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag, PDB code: 7sxl
was solved by
N.Nieto,
P.Chheda,
R.Kerns,
S.Nelson,
R.Honzatko,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.91 /
2.70
|
Space group
|
P 65
|
Cell size a, b, c (Å), α, β, γ (°)
|
145.369,
145.369,
164.944,
90,
90,
120
|
R / Rfree (%)
|
19.1 /
22.4
|
Other elements in 7sxl:
The structure of Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag
(pdb code 7sxl). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the
Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag, PDB code: 7sxl:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Chlorine binding site 1 out
of 8 in 7sxl
Go back to
Chlorine Binding Sites List in 7sxl
Chlorine binding site 1 out
of 8 in the Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl703
b:58.1
occ:1.00
|
HD22
|
A:ASN234
|
2.6
|
65.5
|
1.0
|
HZ1
|
A:LYS531
|
2.7
|
71.2
|
1.0
|
HD21
|
A:ASN529
|
2.8
|
66.2
|
1.0
|
HD21
|
B:ASN433
|
2.9
|
77.0
|
1.0
|
HE2
|
A:LYS531
|
3.3
|
64.0
|
1.0
|
ND2
|
A:ASN234
|
3.4
|
54.6
|
1.0
|
HB2
|
A:ASN234
|
3.4
|
59.4
|
1.0
|
NZ
|
A:LYS531
|
3.4
|
59.3
|
1.0
|
HZ3
|
A:LYS531
|
3.5
|
71.2
|
1.0
|
ND2
|
A:ASN529
|
3.6
|
55.1
|
1.0
|
ND2
|
B:ASN433
|
3.7
|
64.2
|
1.0
|
HD21
|
A:ASN234
|
3.8
|
65.5
|
1.0
|
CE
|
A:LYS531
|
3.8
|
53.3
|
1.0
|
HE3
|
A:LYS531
|
4.0
|
64.0
|
1.0
|
HD22
|
A:ASN529
|
4.1
|
66.2
|
1.0
|
H21
|
A:PEG710
|
4.1
|
74.7
|
1.0
|
OD1
|
B:ASN433
|
4.2
|
61.4
|
1.0
|
HZ2
|
A:LYS531
|
4.2
|
71.2
|
1.0
|
CB
|
A:ASN234
|
4.2
|
49.5
|
1.0
|
HD22
|
B:ASN433
|
4.2
|
77.0
|
1.0
|
CG
|
A:ASN234
|
4.2
|
53.2
|
1.0
|
OD1
|
A:ASN529
|
4.3
|
52.4
|
1.0
|
CG
|
B:ASN433
|
4.3
|
57.8
|
1.0
|
CG
|
A:ASN529
|
4.4
|
52.2
|
1.0
|
O
|
A:GLU233
|
4.5
|
50.5
|
1.0
|
HB3
|
A:ASN234
|
4.5
|
59.4
|
1.0
|
H12
|
A:PEG710
|
4.5
|
75.4
|
1.0
|
HO1
|
B:EDO709
|
4.6
|
78.7
|
1.0
|
O1
|
A:PEG710
|
4.8
|
64.4
|
1.0
|
C2
|
A:PEG710
|
4.9
|
62.3
|
1.0
|
C1
|
A:PEG710
|
5.0
|
62.9
|
1.0
|
|
Chlorine binding site 2 out
of 8 in 7sxl
Go back to
Chlorine Binding Sites List in 7sxl
Chlorine binding site 2 out
of 8 in the Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl704
b:55.5
occ:1.00
|
H
|
A:GLU615
|
2.3
|
68.4
|
1.0
|
HZ2
|
A:LYS417
|
2.6
|
71.8
|
1.0
|
H
|
A:GLN413
|
2.8
|
66.3
|
1.0
|
HD2
|
A:LYS417
|
2.8
|
57.8
|
1.0
|
H
|
A:LYS412
|
2.9
|
65.2
|
1.0
|
HA
|
A:CYS614
|
3.1
|
67.8
|
1.0
|
N
|
A:GLU615
|
3.1
|
57.0
|
1.0
|
HB2
|
A:CYS614
|
3.2
|
66.9
|
1.0
|
HB3
|
A:PHE411
|
3.2
|
61.6
|
1.0
|
HA
|
A:ILE414
|
3.3
|
57.3
|
1.0
|
HD1
|
A:PHE411
|
3.3
|
56.9
|
1.0
|
HD13
|
A:ILE414
|
3.4
|
60.9
|
1.0
|
NZ
|
A:LYS417
|
3.4
|
59.9
|
1.0
|
HB2
|
A:LYS412
|
3.4
|
70.8
|
1.0
|
HB
|
A:ILE414
|
3.5
|
55.8
|
1.0
|
N
|
A:GLN413
|
3.5
|
55.2
|
1.0
|
HE3
|
A:LYS417
|
3.5
|
57.9
|
1.0
|
O
|
A:GLU615
|
3.5
|
53.2
|
1.0
|
N
|
A:LYS412
|
3.6
|
54.3
|
1.0
|
N
|
A:ILE414
|
3.6
|
51.7
|
1.0
|
CD
|
A:LYS417
|
3.6
|
48.2
|
1.0
|
HB3
|
A:GLU615
|
3.7
|
67.6
|
1.0
|
CA
|
A:CYS614
|
3.7
|
56.5
|
1.0
|
CE
|
A:LYS417
|
3.7
|
48.2
|
1.0
|
H
|
A:ILE414
|
3.7
|
62.0
|
1.0
|
C
|
A:GLN413
|
3.8
|
51.6
|
1.0
|
CA
|
A:ILE414
|
3.8
|
47.8
|
1.0
|
HD12
|
A:ILE414
|
3.9
|
60.9
|
1.0
|
HZ1
|
A:LYS417
|
3.9
|
71.8
|
1.0
|
CB
|
A:CYS614
|
3.9
|
55.8
|
1.0
|
HZ3
|
A:LYS417
|
3.9
|
71.8
|
1.0
|
C
|
A:CYS614
|
3.9
|
55.9
|
1.0
|
CD1
|
A:ILE414
|
4.0
|
50.7
|
1.0
|
CA
|
A:GLU615
|
4.1
|
54.3
|
1.0
|
HD3
|
A:LYS417
|
4.1
|
57.8
|
1.0
|
CB
|
A:PHE411
|
4.1
|
51.3
|
1.0
|
CB
|
A:ILE414
|
4.1
|
46.5
|
1.0
|
CD1
|
A:PHE411
|
4.1
|
47.4
|
1.0
|
HA
|
A:PHE411
|
4.1
|
61.9
|
1.0
|
CB
|
A:LYS412
|
4.2
|
59.0
|
1.0
|
C
|
A:GLU615
|
4.2
|
54.4
|
1.0
|
CA
|
A:LYS412
|
4.2
|
55.4
|
1.0
|
O
|
A:GLN413
|
4.2
|
51.1
|
1.0
|
CA
|
A:GLN413
|
4.3
|
55.5
|
1.0
|
C
|
A:LYS412
|
4.3
|
57.0
|
1.0
|
CB
|
A:GLU615
|
4.3
|
56.3
|
1.0
|
C
|
A:PHE411
|
4.4
|
54.0
|
1.0
|
HB3
|
A:CYS614
|
4.4
|
66.9
|
1.0
|
CA
|
A:PHE411
|
4.4
|
51.6
|
1.0
|
HG2
|
A:LYS412
|
4.5
|
77.8
|
1.0
|
CG
|
A:PHE411
|
4.6
|
47.0
|
1.0
|
HB2
|
A:GLU615
|
4.6
|
67.6
|
1.0
|
CG1
|
A:ILE414
|
4.7
|
49.0
|
1.0
|
HE2
|
A:LYS417
|
4.7
|
57.9
|
1.0
|
HG3
|
A:LYS417
|
4.7
|
57.4
|
1.0
|
HB2
|
A:GLN413
|
4.7
|
68.6
|
1.0
|
HB2
|
A:PHE411
|
4.8
|
61.6
|
1.0
|
CG
|
A:LYS417
|
4.8
|
47.8
|
1.0
|
HD11
|
A:ILE414
|
4.8
|
60.9
|
1.0
|
HB2
|
A:LYS417
|
4.9
|
53.0
|
1.0
|
CG
|
A:LYS412
|
4.9
|
64.9
|
1.0
|
HB3
|
A:LYS412
|
4.9
|
70.8
|
1.0
|
HA
|
A:GLU615
|
4.9
|
65.2
|
1.0
|
|
Chlorine binding site 3 out
of 8 in 7sxl
Go back to
Chlorine Binding Sites List in 7sxl
Chlorine binding site 3 out
of 8 in the Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl705
b:65.0
occ:1.00
|
HD22
|
A:ASN239
|
2.2
|
56.6
|
1.0
|
HZ1
|
A:LYS227
|
2.5
|
82.3
|
1.0
|
HD1
|
A:HIS236
|
2.5
|
64.8
|
1.0
|
ND2
|
A:ASN239
|
3.0
|
47.2
|
1.0
|
HE2
|
A:PHE158
|
3.2
|
63.6
|
1.0
|
O
|
A:HOH952
|
3.2
|
57.6
|
1.0
|
HD21
|
A:ASN239
|
3.3
|
56.6
|
1.0
|
ND1
|
A:HIS236
|
3.4
|
54.0
|
1.0
|
HD2
|
A:LYS227
|
3.4
|
84.0
|
1.0
|
HG21
|
A:ILE230
|
3.4
|
57.4
|
1.0
|
NZ
|
A:LYS227
|
3.4
|
68.6
|
1.0
|
HB3
|
A:ASN239
|
3.5
|
57.0
|
1.0
|
HA
|
A:HIS236
|
3.5
|
54.5
|
1.0
|
HZ2
|
A:LYS227
|
3.8
|
82.3
|
1.0
|
HZ3
|
A:LYS227
|
3.8
|
82.3
|
1.0
|
HG22
|
A:ILE230
|
3.9
|
57.4
|
1.0
|
CE2
|
A:PHE158
|
4.0
|
53.0
|
1.0
|
HE3
|
A:LYS227
|
4.0
|
86.5
|
1.0
|
CG
|
A:ASN239
|
4.0
|
47.5
|
1.0
|
HE1
|
A:HIS236
|
4.0
|
71.8
|
1.0
|
CE
|
A:LYS227
|
4.1
|
72.1
|
1.0
|
CG2
|
A:ILE230
|
4.1
|
47.8
|
1.0
|
CE1
|
A:HIS236
|
4.1
|
59.9
|
1.0
|
CD
|
A:LYS227
|
4.1
|
70.0
|
1.0
|
HD2
|
A:PHE158
|
4.2
|
60.7
|
1.0
|
CB
|
A:ASN239
|
4.2
|
47.5
|
1.0
|
HB2
|
A:ASP240
|
4.4
|
60.8
|
1.0
|
CA
|
A:HIS236
|
4.4
|
45.4
|
1.0
|
CG
|
A:HIS236
|
4.4
|
51.4
|
1.0
|
HB2
|
A:HIS236
|
4.4
|
58.9
|
1.0
|
O
|
A:HIS236
|
4.5
|
47.1
|
1.0
|
HG13
|
A:ILE230
|
4.5
|
61.6
|
1.0
|
HD3
|
A:LYS227
|
4.5
|
84.0
|
1.0
|
HB
|
A:ILE230
|
4.5
|
58.2
|
1.0
|
CD2
|
A:PHE158
|
4.5
|
50.6
|
1.0
|
CB
|
A:HIS236
|
4.7
|
49.1
|
1.0
|
HD22
|
A:ASN243
|
4.7
|
56.9
|
1.0
|
HA
|
A:LYS227
|
4.7
|
65.8
|
1.0
|
HB2
|
A:ASN239
|
4.8
|
57.0
|
1.0
|
CB
|
A:ILE230
|
4.8
|
48.5
|
1.0
|
H
|
A:ASP240
|
4.8
|
54.2
|
1.0
|
HA
|
A:ASP240
|
4.8
|
58.5
|
1.0
|
HG23
|
A:ILE230
|
4.8
|
57.4
|
1.0
|
N
|
A:ASP240
|
4.8
|
45.1
|
1.0
|
C
|
A:HIS236
|
5.0
|
46.6
|
1.0
|
HE2
|
A:LYS227
|
5.0
|
86.5
|
1.0
|
C
|
A:ASN239
|
5.0
|
43.7
|
1.0
|
|
Chlorine binding site 4 out
of 8 in 7sxl
Go back to
Chlorine Binding Sites List in 7sxl
Chlorine binding site 4 out
of 8 in the Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl706
b:74.0
occ:1.00
|
H
|
A:LEU178
|
2.2
|
64.6
|
1.0
|
HA
|
A:LYS177
|
3.1
|
61.5
|
1.0
|
N
|
A:LEU178
|
3.1
|
53.8
|
1.0
|
HE21
|
A:GLN138
|
3.3
|
60.7
|
1.0
|
HB3
|
A:LYS177
|
3.3
|
64.6
|
1.0
|
HB2
|
A:LEU178
|
3.3
|
61.4
|
1.0
|
HD2
|
A:LYS177
|
3.3
|
76.4
|
1.0
|
OD1
|
A:ASN139
|
3.3
|
62.5
|
1.0
|
O
|
A:HOH917
|
3.4
|
61.4
|
1.0
|
HB3
|
A:LEU178
|
3.6
|
61.4
|
1.0
|
CA
|
A:LYS177
|
3.8
|
51.2
|
1.0
|
CB
|
A:LEU178
|
3.8
|
51.2
|
1.0
|
HG2
|
A:GLN138
|
3.8
|
57.1
|
1.0
|
HG3
|
A:GLN138
|
3.8
|
57.1
|
1.0
|
HD3
|
A:LYS177
|
3.8
|
76.4
|
1.0
|
C
|
A:LYS177
|
3.9
|
53.6
|
1.0
|
CB
|
A:LYS177
|
3.9
|
53.8
|
1.0
|
CD
|
A:LYS177
|
4.0
|
63.6
|
1.0
|
O
|
A:HOH873
|
4.0
|
50.9
|
1.0
|
CA
|
A:LEU178
|
4.0
|
53.7
|
1.0
|
NE2
|
A:GLN138
|
4.1
|
50.6
|
1.0
|
CG
|
A:GLN138
|
4.2
|
47.6
|
1.0
|
CG
|
A:ASN139
|
4.4
|
53.0
|
1.0
|
O
|
A:HOH974
|
4.4
|
48.7
|
1.0
|
O
|
A:HOH899
|
4.5
|
52.2
|
1.0
|
HA
|
A:LEU178
|
4.5
|
64.5
|
1.0
|
HD21
|
A:ASN139
|
4.6
|
61.8
|
1.0
|
CG
|
A:LYS177
|
4.6
|
54.0
|
1.0
|
HE22
|
A:GLN138
|
4.7
|
60.7
|
1.0
|
CD
|
A:GLN138
|
4.7
|
49.2
|
1.0
|
H
|
A:ASN179
|
4.7
|
65.2
|
1.0
|
HB2
|
A:LYS177
|
4.8
|
64.6
|
1.0
|
ND2
|
A:ASN139
|
4.9
|
51.5
|
1.0
|
HE22
|
A:GLN195
|
5.0
|
94.4
|
1.0
|
HZ2
|
A:LYS177
|
5.0
|
86.5
|
1.0
|
O
|
A:PHE176
|
5.0
|
50.5
|
1.0
|
HG3
|
A:LYS177
|
5.0
|
64.7
|
1.0
|
|
Chlorine binding site 5 out
of 8 in 7sxl
Go back to
Chlorine Binding Sites List in 7sxl
Chlorine binding site 5 out
of 8 in the Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl703
b:62.1
occ:1.00
|
HD22
|
B:ASN234
|
2.3
|
73.6
|
1.0
|
HZ3
|
B:LYS531
|
2.4
|
64.7
|
1.0
|
HD21
|
B:ASN529
|
2.8
|
68.9
|
1.0
|
HE2
|
B:LYS531
|
3.1
|
61.0
|
1.0
|
NZ
|
B:LYS531
|
3.2
|
53.9
|
1.0
|
ND2
|
B:ASN234
|
3.2
|
61.4
|
1.0
|
HB2
|
B:ASN234
|
3.2
|
66.8
|
1.0
|
HD21
|
A:ASN433
|
3.3
|
64.7
|
1.0
|
H32
|
A:PEG708
|
3.4
|
77.4
|
1.0
|
HZ2
|
B:LYS531
|
3.4
|
64.7
|
1.0
|
CE
|
B:LYS531
|
3.5
|
50.8
|
1.0
|
HE3
|
B:LYS531
|
3.6
|
61.0
|
1.0
|
HD21
|
B:ASN234
|
3.7
|
73.6
|
1.0
|
ND2
|
B:ASN529
|
3.7
|
57.4
|
1.0
|
H31
|
A:PEG708
|
3.9
|
77.4
|
1.0
|
HZ1
|
B:LYS531
|
3.9
|
64.7
|
1.0
|
ND2
|
A:ASN433
|
4.0
|
53.9
|
1.0
|
CB
|
B:ASN234
|
4.0
|
55.7
|
1.0
|
C3
|
A:PEG708
|
4.1
|
64.5
|
1.0
|
CG
|
B:ASN234
|
4.1
|
62.0
|
1.0
|
OD1
|
B:ASN529
|
4.1
|
54.3
|
1.0
|
HD22
|
B:ASN529
|
4.2
|
68.9
|
1.0
|
O
|
B:GLU233
|
4.3
|
47.7
|
1.0
|
CG
|
B:ASN529
|
4.4
|
52.6
|
1.0
|
HB3
|
B:ASN234
|
4.4
|
66.8
|
1.0
|
O
|
B:HOH826
|
4.5
|
63.1
|
1.0
|
HD22
|
A:ASN433
|
4.5
|
64.7
|
1.0
|
OD1
|
A:ASN433
|
4.5
|
63.9
|
1.0
|
CG
|
A:ASN433
|
4.7
|
60.6
|
1.0
|
H21
|
A:PEG708
|
4.9
|
73.0
|
1.0
|
O2
|
A:PEG708
|
4.9
|
64.8
|
1.0
|
C
|
B:GLU233
|
4.9
|
49.6
|
1.0
|
CD
|
B:LYS531
|
4.9
|
47.9
|
1.0
|
|
Chlorine binding site 6 out
of 8 in 7sxl
Go back to
Chlorine Binding Sites List in 7sxl
Chlorine binding site 6 out
of 8 in the Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl704
b:49.8
occ:1.00
|
HZ1
|
B:LYS417
|
2.0
|
67.8
|
1.0
|
H
|
B:GLU615
|
2.4
|
61.6
|
1.0
|
H
|
B:GLN413
|
2.5
|
66.9
|
1.0
|
H
|
B:LYS412
|
2.8
|
66.1
|
1.0
|
HD2
|
B:LYS417
|
2.9
|
55.3
|
1.0
|
NZ
|
B:LYS417
|
2.9
|
56.5
|
1.0
|
N
|
B:GLU615
|
3.2
|
51.3
|
1.0
|
HA
|
B:CYS614
|
3.2
|
63.6
|
1.0
|
N
|
B:GLN413
|
3.3
|
55.8
|
1.0
|
HB2
|
B:CYS614
|
3.3
|
61.9
|
1.0
|
HB3
|
B:LYS412
|
3.3
|
80.3
|
1.0
|
HB3
|
B:PHE411
|
3.3
|
64.1
|
1.0
|
HZ3
|
B:LYS417
|
3.3
|
67.8
|
1.0
|
HE3
|
B:LYS417
|
3.4
|
55.1
|
1.0
|
HZ2
|
B:LYS417
|
3.4
|
67.8
|
1.0
|
HD1
|
B:PHE411
|
3.4
|
59.1
|
1.0
|
HA
|
B:ILE414
|
3.4
|
57.7
|
1.0
|
CE
|
B:LYS417
|
3.5
|
45.9
|
1.0
|
N
|
B:LYS412
|
3.5
|
55.1
|
1.0
|
O
|
B:GLU615
|
3.5
|
54.7
|
1.0
|
N
|
B:ILE414
|
3.5
|
49.5
|
1.0
|
CD
|
B:LYS417
|
3.6
|
46.1
|
1.0
|
HB
|
B:ILE414
|
3.6
|
57.0
|
1.0
|
H
|
B:ILE414
|
3.6
|
59.5
|
1.0
|
HB3
|
B:GLU615
|
3.7
|
70.2
|
1.0
|
C
|
B:GLN413
|
3.8
|
50.4
|
1.0
|
HD13
|
B:ILE414
|
3.8
|
60.8
|
1.0
|
CA
|
B:CYS614
|
3.9
|
53.0
|
1.0
|
CA
|
B:ILE414
|
3.9
|
48.1
|
1.0
|
HD3
|
B:LYS417
|
4.0
|
55.3
|
1.0
|
C
|
B:CYS614
|
4.0
|
52.7
|
1.0
|
CB
|
B:CYS614
|
4.0
|
51.6
|
1.0
|
CA
|
B:GLN413
|
4.1
|
58.6
|
1.0
|
CA
|
B:LYS412
|
4.1
|
56.3
|
1.0
|
CB
|
B:LYS412
|
4.1
|
66.9
|
1.0
|
CA
|
B:GLU615
|
4.1
|
55.6
|
1.0
|
C
|
B:LYS412
|
4.1
|
59.9
|
1.0
|
CB
|
B:PHE411
|
4.2
|
53.4
|
1.0
|
HA
|
B:PHE411
|
4.2
|
69.0
|
1.0
|
HD12
|
B:ILE414
|
4.2
|
60.8
|
1.0
|
C
|
B:GLU615
|
4.2
|
55.9
|
1.0
|
CD1
|
B:PHE411
|
4.2
|
49.3
|
1.0
|
CB
|
B:ILE414
|
4.2
|
47.5
|
1.0
|
CB
|
B:GLU615
|
4.3
|
58.5
|
1.0
|
O
|
B:GLN413
|
4.3
|
50.7
|
1.0
|
HB2
|
B:GLN413
|
4.3
|
68.4
|
1.0
|
C
|
B:PHE411
|
4.4
|
56.4
|
1.0
|
HE2
|
B:LYS417
|
4.4
|
55.1
|
1.0
|
CD1
|
B:ILE414
|
4.4
|
50.7
|
1.0
|
CA
|
B:PHE411
|
4.5
|
57.5
|
1.0
|
HB2
|
B:LYS412
|
4.5
|
80.3
|
1.0
|
HB3
|
B:CYS614
|
4.5
|
61.9
|
1.0
|
HB2
|
B:GLU615
|
4.6
|
70.2
|
1.0
|
CG
|
B:PHE411
|
4.7
|
50.9
|
1.0
|
HG3
|
B:LYS417
|
4.8
|
53.1
|
1.0
|
CG
|
B:LYS417
|
4.8
|
44.3
|
1.0
|
CB
|
B:GLN413
|
4.8
|
57.0
|
1.0
|
HA
|
B:GLN413
|
4.8
|
70.3
|
1.0
|
HB2
|
B:PHE411
|
4.9
|
64.1
|
1.0
|
CG1
|
B:ILE414
|
4.9
|
49.0
|
1.0
|
HB2
|
B:LYS417
|
5.0
|
52.3
|
1.0
|
HA
|
B:GLU615
|
5.0
|
66.7
|
1.0
|
|
Chlorine binding site 7 out
of 8 in 7sxl
Go back to
Chlorine Binding Sites List in 7sxl
Chlorine binding site 7 out
of 8 in the Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl705
b:64.3
occ:1.00
|
HZ1
|
B:LYS227
|
2.2
|
85.9
|
1.0
|
HD22
|
B:ASN239
|
2.5
|
56.0
|
1.0
|
HD1
|
B:HIS236
|
2.5
|
74.2
|
1.0
|
NZ
|
B:LYS227
|
3.1
|
71.6
|
1.0
|
HZ2
|
B:LYS227
|
3.3
|
85.9
|
1.0
|
ND2
|
B:ASN239
|
3.3
|
46.7
|
1.0
|
ND1
|
B:HIS236
|
3.4
|
61.9
|
1.0
|
HD2
|
B:LYS227
|
3.4
|
82.5
|
1.0
|
HE2
|
B:PHE158
|
3.4
|
54.6
|
1.0
|
HG21
|
B:ILE230
|
3.5
|
59.1
|
1.0
|
O
|
B:HOH896
|
3.5
|
56.0
|
1.0
|
HZ3
|
B:LYS227
|
3.5
|
85.9
|
1.0
|
HB3
|
B:ASN239
|
3.6
|
52.3
|
1.0
|
HA
|
B:HIS236
|
3.6
|
60.9
|
1.0
|
HD21
|
B:ASN239
|
3.7
|
56.0
|
1.0
|
HG22
|
B:ILE230
|
3.9
|
59.1
|
1.0
|
CE
|
B:LYS227
|
4.0
|
75.5
|
1.0
|
CD
|
B:LYS227
|
4.1
|
68.8
|
1.0
|
HE3
|
B:LYS227
|
4.1
|
90.5
|
1.0
|
HE1
|
B:HIS236
|
4.1
|
76.9
|
1.0
|
CG2
|
B:ILE230
|
4.1
|
49.3
|
1.0
|
CE1
|
B:HIS236
|
4.2
|
64.1
|
1.0
|
HB2
|
B:ASP240
|
4.2
|
67.2
|
1.0
|
HD2
|
B:PHE158
|
4.2
|
57.8
|
1.0
|
CE2
|
B:PHE158
|
4.3
|
45.5
|
1.0
|
HD3
|
B:LYS227
|
4.3
|
82.5
|
1.0
|
HB2
|
B:HIS236
|
4.3
|
63.8
|
1.0
|
CG
|
B:ASN239
|
4.4
|
44.5
|
1.0
|
CB
|
B:ASN239
|
4.4
|
43.5
|
1.0
|
CG
|
B:HIS236
|
4.4
|
59.8
|
1.0
|
O
|
B:HIS236
|
4.4
|
46.8
|
1.0
|
CA
|
B:HIS236
|
4.5
|
50.7
|
1.0
|
HB
|
B:ILE230
|
4.5
|
61.3
|
1.0
|
HG13
|
B:ILE230
|
4.6
|
59.7
|
1.0
|
CB
|
B:HIS236
|
4.6
|
53.2
|
1.0
|
HD22
|
B:ASN243
|
4.6
|
58.6
|
1.0
|
H
|
B:ASP240
|
4.7
|
56.2
|
1.0
|
CD2
|
B:PHE158
|
4.7
|
48.1
|
1.0
|
HA
|
B:ASP240
|
4.7
|
59.2
|
1.0
|
N
|
B:ASP240
|
4.8
|
46.8
|
1.0
|
HE2
|
B:LYS227
|
4.8
|
90.5
|
1.0
|
CB
|
B:ILE230
|
4.8
|
51.1
|
1.0
|
HG23
|
B:ILE230
|
4.9
|
59.1
|
1.0
|
C
|
B:HIS236
|
5.0
|
48.9
|
1.0
|
HA
|
B:LYS227
|
5.0
|
67.7
|
1.0
|
HB2
|
B:ASN239
|
5.0
|
52.3
|
1.0
|
|
Chlorine binding site 8 out
of 8 in 7sxl
Go back to
Chlorine Binding Sites List in 7sxl
Chlorine binding site 8 out
of 8 in the Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Plasmodium Falciparum Apicoplast Dna Polymerase (Exo-Minus) Without Affinity Tag within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl706
b:74.5
occ:1.00
|
OD1
|
B:ASN139
|
2.8
|
62.9
|
1.0
|
H
|
B:LEU178
|
2.9
|
62.8
|
1.0
|
HB2
|
B:LEU178
|
3.1
|
55.7
|
1.0
|
HG3
|
B:GLN138
|
3.1
|
61.3
|
1.0
|
HE21
|
B:GLN138
|
3.3
|
58.3
|
1.0
|
HG2
|
B:GLN138
|
3.4
|
61.3
|
1.0
|
O
|
B:HOH952
|
3.5
|
52.3
|
1.0
|
N
|
B:LEU178
|
3.6
|
52.4
|
1.0
|
CG
|
B:GLN138
|
3.7
|
51.1
|
1.0
|
HB3
|
B:LEU178
|
3.7
|
55.7
|
1.0
|
CB
|
B:LEU178
|
3.8
|
46.5
|
1.0
|
HA
|
B:LYS177
|
3.8
|
64.5
|
1.0
|
CG
|
B:ASN139
|
3.9
|
59.1
|
1.0
|
NE2
|
B:GLN138
|
4.1
|
48.6
|
1.0
|
HD2
|
B:LYS177
|
4.3
|
83.6
|
1.0
|
CA
|
B:LEU178
|
4.3
|
46.7
|
1.0
|
HB3
|
B:LYS177
|
4.3
|
66.4
|
1.0
|
HB2
|
B:ASN139
|
4.4
|
64.7
|
1.0
|
CD
|
B:GLN138
|
4.4
|
50.8
|
1.0
|
HD3
|
B:LYS177
|
4.5
|
83.6
|
1.0
|
CA
|
B:LYS177
|
4.5
|
53.8
|
1.0
|
C
|
B:LYS177
|
4.6
|
53.1
|
1.0
|
HA
|
B:LEU178
|
4.6
|
56.0
|
1.0
|
HD21
|
B:ASN139
|
4.7
|
76.0
|
1.0
|
HD22
|
B:LEU178
|
4.7
|
67.5
|
1.0
|
ND2
|
B:ASN139
|
4.7
|
63.3
|
1.0
|
O
|
B:HOH837
|
4.8
|
58.5
|
1.0
|
HE22
|
B:GLN138
|
4.8
|
58.3
|
1.0
|
CB
|
B:ASN139
|
4.8
|
53.9
|
1.0
|
HB3
|
B:GLN138
|
4.8
|
58.3
|
1.0
|
CD
|
B:LYS177
|
4.9
|
69.7
|
1.0
|
CB
|
B:GLN138
|
4.9
|
48.6
|
1.0
|
CB
|
B:LYS177
|
4.9
|
55.3
|
1.0
|
|
Reference:
P.R.Chheda,
N.Nieto,
S.Kaur,
J.M.Beck,
J.R.Beck,
R.Honzatko,
R.J.Kerns,
S.W.Nelson.
Promising Antimalarials Targeting Apicoplast Dna Polymerase From Plasmodium Falciparum. Eur.J.Med.Chem. V. 243 14751 2022.
ISSN: ISSN 0223-5234
PubMed: 36191407
DOI: 10.1016/J.EJMECH.2022.114751
Page generated: Tue Jul 30 04:19:30 2024
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