Chlorine in PDB 6x3j: Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46)
Protein crystallography data
The structure of Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46), PDB code: 6x3j
was solved by
H.A.Chaires,
J.S.Fraser,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
86.51 /
2.70
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
104.800,
109.220,
173.030,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
23.4 /
27.1
|
Other elements in 6x3j:
The structure of Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46) also contains other interesting chemical elements:
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
11;
Binding sites:
The binding sites of Chlorine atom in the Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46)
(pdb code 6x3j). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the
Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46), PDB code: 6x3j:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 11 in 6x3j
Go back to
Chlorine Binding Sites List in 6x3j
Chlorine binding site 1 out
of 11 in the Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46)
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 Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl403
b:65.2
occ:1.00
|
O
|
B:HOH528
|
2.5
|
58.4
|
1.0
|
O
|
A:HOH526
|
2.7
|
45.6
|
1.0
|
O
|
B:HOH542
|
2.9
|
86.1
|
1.0
|
O
|
A:HOH535
|
2.9
|
43.2
|
1.0
|
HB3
|
B:LEU56
|
3.8
|
40.9
|
1.0
|
HD22
|
B:LEU56
|
3.8
|
41.1
|
1.0
|
H
|
B:TYR57
|
3.9
|
44.3
|
1.0
|
CE1
|
B:TYR57
|
4.0
|
47.9
|
1.0
|
CZ
|
B:TYR57
|
4.1
|
47.0
|
1.0
|
HE1
|
B:TYR57
|
4.2
|
44.6
|
1.0
|
CD1
|
B:TYR57
|
4.4
|
47.0
|
1.0
|
OH
|
B:TYR57
|
4.4
|
48.4
|
1.0
|
CE2
|
B:TYR57
|
4.4
|
45.0
|
1.0
|
HG3
|
A:PRO76
|
4.5
|
38.0
|
1.0
|
N
|
B:TYR57
|
4.6
|
42.6
|
1.0
|
OD2
|
A:ASP44
|
4.6
|
48.7
|
1.0
|
CD2
|
B:LEU56
|
4.7
|
40.6
|
1.0
|
HD1
|
B:TYR57
|
4.7
|
44.5
|
1.0
|
CG
|
B:TYR57
|
4.7
|
45.0
|
1.0
|
CB
|
B:LEU56
|
4.7
|
40.7
|
1.0
|
HH
|
B:TYR57
|
4.7
|
45.2
|
1.0
|
HD23
|
B:LEU56
|
4.7
|
41.1
|
1.0
|
CD2
|
B:TYR57
|
4.7
|
43.8
|
1.0
|
HA
|
B:LEU56
|
4.8
|
41.0
|
1.0
|
O
|
B:HOH511
|
4.8
|
52.3
|
1.0
|
HE2
|
B:TYR57
|
4.8
|
44.5
|
1.0
|
HA
|
B:TYR57
|
4.9
|
44.7
|
1.0
|
|
Chlorine binding site 2 out
of 11 in 6x3j
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Chlorine Binding Sites List in 6x3j
Chlorine binding site 2 out
of 11 in the Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46)
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 Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl404
b:57.0
occ:1.00
|
H
|
B:GLY117
|
2.5
|
47.0
|
1.0
|
HB3
|
B:LEU115
|
2.7
|
48.2
|
1.0
|
HB3
|
B:ASP64
|
2.9
|
44.7
|
1.0
|
HA2
|
B:GLY117
|
3.1
|
47.2
|
1.0
|
N
|
B:GLY117
|
3.3
|
44.4
|
1.0
|
ND2
|
B:ASN83
|
3.5
|
51.0
|
1.0
|
H
|
B:LYS116
|
3.5
|
49.3
|
1.0
|
HD13
|
B:LEU115
|
3.6
|
49.1
|
1.0
|
CA
|
B:GLY117
|
3.6
|
44.0
|
1.0
|
CB
|
B:LEU115
|
3.6
|
49.3
|
1.0
|
HD22
|
B:ASN83
|
3.7
|
49.4
|
1.0
|
CG
|
B:ASN83
|
3.7
|
51.8
|
1.0
|
HD21
|
B:ASN83
|
3.7
|
49.4
|
1.0
|
CB
|
B:ASP64
|
3.8
|
40.6
|
1.0
|
HB2
|
B:ASN83
|
3.8
|
49.1
|
1.0
|
HD22
|
B:LEU115
|
3.9
|
47.5
|
1.0
|
HG22
|
B:ILE62
|
3.9
|
55.3
|
1.0
|
HB2
|
B:LEU115
|
3.9
|
48.2
|
1.0
|
HB2
|
B:ASP64
|
4.0
|
44.7
|
1.0
|
HB3
|
B:ASN83
|
4.0
|
49.1
|
1.0
|
N
|
B:LYS116
|
4.0
|
55.0
|
1.0
|
OD1
|
B:ASN83
|
4.1
|
52.0
|
1.0
|
C
|
B:GLY117
|
4.1
|
42.8
|
1.0
|
CB
|
B:ASN83
|
4.1
|
52.8
|
1.0
|
O
|
B:GLY117
|
4.3
|
42.3
|
1.0
|
HG23
|
B:ILE62
|
4.3
|
55.3
|
1.0
|
HA
|
B:LEU115
|
4.4
|
47.6
|
1.0
|
CD1
|
B:LEU115
|
4.4
|
51.7
|
1.0
|
CG2
|
B:ILE62
|
4.4
|
58.6
|
1.0
|
HG21
|
B:ILE62
|
4.4
|
55.3
|
1.0
|
CG
|
B:LEU115
|
4.4
|
50.4
|
1.0
|
CA
|
B:LEU115
|
4.5
|
48.3
|
1.0
|
C
|
B:LYS116
|
4.5
|
53.8
|
1.0
|
HA
|
B:ASP64
|
4.5
|
45.2
|
1.0
|
HA3
|
B:GLY117
|
4.5
|
47.2
|
1.0
|
C
|
B:LEU115
|
4.5
|
47.6
|
1.0
|
CD2
|
B:LEU115
|
4.6
|
49.7
|
1.0
|
CG
|
B:ASP64
|
4.6
|
40.1
|
1.0
|
CA
|
B:ASP64
|
4.7
|
41.5
|
1.0
|
HD11
|
B:LEU115
|
4.8
|
49.1
|
1.0
|
N
|
B:ASP118
|
4.9
|
51.3
|
1.0
|
CA
|
B:LYS116
|
4.9
|
54.3
|
1.0
|
OD2
|
B:ASP64
|
4.9
|
39.0
|
1.0
|
H
|
B:ASP64
|
5.0
|
45.7
|
1.0
|
|
Chlorine binding site 3 out
of 11 in 6x3j
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Chlorine Binding Sites List in 6x3j
Chlorine binding site 3 out
of 11 in the Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46)
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 Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl402
b:66.1
occ:1.00
|
H
|
C:TYR57
|
3.1
|
37.2
|
1.0
|
HB3
|
C:LEU56
|
3.7
|
37.1
|
1.0
|
HD22
|
C:LEU56
|
3.8
|
37.4
|
1.0
|
N
|
C:TYR57
|
4.0
|
37.4
|
1.0
|
CE1
|
C:TYR57
|
4.2
|
39.9
|
1.0
|
HA
|
C:LEU56
|
4.2
|
37.4
|
1.0
|
CD1
|
C:TYR57
|
4.2
|
39.4
|
1.0
|
HA
|
C:TYR57
|
4.3
|
37.8
|
1.0
|
CZ
|
C:TYR57
|
4.4
|
38.9
|
1.0
|
HE1
|
C:TYR57
|
4.4
|
38.5
|
1.0
|
HD1
|
C:TYR57
|
4.5
|
38.0
|
1.0
|
CG
|
C:TYR57
|
4.5
|
38.0
|
1.0
|
HD13
|
C:LEU56
|
4.5
|
37.6
|
1.0
|
CB
|
C:LEU56
|
4.5
|
38.0
|
1.0
|
CE2
|
C:TYR57
|
4.6
|
37.4
|
1.0
|
CA
|
C:TYR57
|
4.6
|
38.4
|
1.0
|
HH
|
C:TYR59
|
4.7
|
47.3
|
1.0
|
CD2
|
C:TYR57
|
4.7
|
36.9
|
1.0
|
CA
|
C:LEU56
|
4.7
|
38.0
|
1.0
|
CD2
|
C:LEU56
|
4.7
|
37.5
|
1.0
|
C
|
C:LEU56
|
4.9
|
39.4
|
1.0
|
OH
|
C:TYR59
|
4.9
|
52.8
|
1.0
|
OH
|
C:TYR57
|
5.0
|
39.5
|
1.0
|
|
Chlorine binding site 4 out
of 11 in 6x3j
Go back to
Chlorine Binding Sites List in 6x3j
Chlorine binding site 4 out
of 11 in the Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46)
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 Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl403
b:85.8
occ:1.00
|
H
|
C:ASP10
|
2.2
|
49.8
|
1.0
|
HD22
|
C:ASN13
|
2.6
|
57.5
|
1.0
|
HB3
|
C:ASP10
|
3.1
|
52.4
|
1.0
|
N
|
C:ASP10
|
3.1
|
57.3
|
1.0
|
HE3
|
F:MET101
|
3.3
|
73.2
|
1.0
|
HG3
|
F:MET101
|
3.4
|
72.6
|
1.0
|
HB2
|
C:PRO9
|
3.4
|
46.2
|
1.0
|
ND2
|
C:ASN13
|
3.4
|
62.3
|
1.0
|
HA
|
C:PRO9
|
3.4
|
48.2
|
1.0
|
HB3
|
C:ASN13
|
3.5
|
60.1
|
1.0
|
HB2
|
C:ASP10
|
3.6
|
52.4
|
1.0
|
CB
|
C:ASP10
|
3.6
|
58.0
|
1.0
|
HB2
|
C:ASN13
|
3.7
|
60.1
|
1.0
|
HB3
|
C:PRO9
|
3.9
|
46.2
|
1.0
|
CB
|
C:PRO9
|
3.9
|
49.1
|
1.0
|
CA
|
C:ASP10
|
3.9
|
58.8
|
1.0
|
CA
|
C:PRO9
|
3.9
|
51.3
|
1.0
|
HD21
|
C:ASN13
|
3.9
|
57.5
|
1.0
|
CB
|
C:ASN13
|
3.9
|
64.5
|
1.0
|
HA
|
C:PRO16
|
4.0
|
46.5
|
1.0
|
C
|
C:PRO9
|
4.0
|
53.1
|
1.0
|
HB3
|
C:PRO16
|
4.1
|
47.2
|
1.0
|
CE
|
F:MET101
|
4.1
|
81.9
|
1.0
|
O
|
C:ASP10
|
4.1
|
55.8
|
1.0
|
CG
|
C:ASN13
|
4.1
|
62.3
|
1.0
|
CG
|
F:MET101
|
4.2
|
78.1
|
1.0
|
SD
|
F:MET101
|
4.3
|
80.8
|
1.0
|
C
|
C:ASP10
|
4.5
|
58.3
|
1.0
|
O
|
C:PRO16
|
4.7
|
43.5
|
1.0
|
HE1
|
F:MET101
|
4.7
|
73.2
|
1.0
|
HE2
|
F:MET101
|
4.7
|
73.2
|
1.0
|
O
|
C:HOH529
|
4.7
|
60.4
|
1.0
|
HA
|
C:ASP10
|
4.7
|
52.1
|
1.0
|
CA
|
C:PRO16
|
4.7
|
43.5
|
1.0
|
HG2
|
F:MET101
|
4.7
|
72.6
|
1.0
|
CB
|
C:PRO16
|
4.8
|
44.9
|
1.0
|
HE2
|
C:PHE25
|
4.8
|
52.2
|
1.0
|
HB2
|
C:PRO16
|
5.0
|
47.2
|
1.0
|
|
Chlorine binding site 5 out
of 11 in 6x3j
Go back to
Chlorine Binding Sites List in 6x3j
Chlorine binding site 5 out
of 11 in the Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46)
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 Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl402
b:73.7
occ:1.00
|
O
|
F:HOH534
|
2.9
|
70.0
|
1.0
|
CE1
|
E:TYR57
|
3.9
|
46.7
|
1.0
|
HE1
|
E:TYR57
|
3.9
|
47.0
|
1.0
|
CZ
|
E:TYR57
|
4.1
|
45.6
|
1.0
|
H
|
E:TYR57
|
4.1
|
43.6
|
1.0
|
CD1
|
E:TYR57
|
4.3
|
44.8
|
1.0
|
OD2
|
F:ASP44
|
4.4
|
49.9
|
1.0
|
OH
|
E:TYR57
|
4.4
|
48.1
|
1.0
|
HG3
|
F:PRO76
|
4.5
|
46.5
|
1.0
|
HB3
|
E:LEU56
|
4.5
|
38.0
|
1.0
|
HD1
|
E:TYR57
|
4.5
|
46.6
|
1.0
|
HD22
|
E:LEU56
|
4.6
|
38.0
|
1.0
|
CE2
|
E:TYR57
|
4.7
|
42.6
|
1.0
|
HH
|
E:TYR57
|
4.7
|
46.8
|
1.0
|
HH
|
E:TYR59
|
4.7
|
61.7
|
1.0
|
CG
|
E:TYR57
|
4.8
|
41.8
|
1.0
|
OH
|
E:TYR59
|
4.9
|
61.8
|
1.0
|
F19
|
E:O7V401
|
4.9
|
77.3
|
1.0
|
N
|
E:TYR57
|
4.9
|
39.7
|
1.0
|
HA
|
E:TYR57
|
4.9
|
45.0
|
1.0
|
CD2
|
E:TYR57
|
5.0
|
40.6
|
1.0
|
|
Chlorine binding site 6 out
of 11 in 6x3j
Go back to
Chlorine Binding Sites List in 6x3j
Chlorine binding site 6 out
of 11 in the Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46)
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 Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl403
b:65.0
occ:1.00
|
H
|
E:SER174
|
2.5
|
68.0
|
1.0
|
HB3
|
E:PHE173
|
2.6
|
59.9
|
1.0
|
HG
|
E:SER174
|
2.6
|
69.8
|
1.0
|
HG21
|
E:VAL177
|
3.1
|
60.1
|
1.0
|
HA
|
E:PHE173
|
3.1
|
60.2
|
1.0
|
N
|
E:SER174
|
3.3
|
73.8
|
1.0
|
HD1
|
E:PHE173
|
3.3
|
59.0
|
1.0
|
CB
|
E:PHE173
|
3.4
|
56.3
|
1.0
|
OG
|
E:SER174
|
3.5
|
76.9
|
1.0
|
HB
|
E:VAL177
|
3.6
|
59.1
|
1.0
|
CA
|
E:PHE173
|
3.7
|
56.5
|
1.0
|
HG11
|
E:VAL177
|
3.7
|
57.8
|
1.0
|
CG2
|
E:VAL177
|
3.8
|
68.0
|
1.0
|
HG23
|
E:VAL177
|
4.0
|
60.1
|
1.0
|
C
|
E:PHE173
|
4.0
|
56.7
|
1.0
|
CD1
|
E:PHE173
|
4.0
|
56.5
|
1.0
|
CB
|
E:VAL177
|
4.1
|
66.2
|
1.0
|
HB2
|
E:PHE173
|
4.1
|
59.9
|
1.0
|
HB3
|
E:SER174
|
4.2
|
70.2
|
1.0
|
CG
|
E:PHE173
|
4.2
|
55.9
|
1.0
|
CB
|
E:SER174
|
4.2
|
77.1
|
1.0
|
CA
|
E:SER174
|
4.4
|
74.8
|
1.0
|
CG1
|
E:VAL177
|
4.4
|
66.2
|
1.0
|
HG22
|
E:VAL177
|
4.6
|
60.1
|
1.0
|
HG12
|
E:VAL177
|
4.8
|
57.8
|
1.0
|
|
Chlorine binding site 7 out
of 11 in 6x3j
Go back to
Chlorine Binding Sites List in 6x3j
Chlorine binding site 7 out
of 11 in the Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46)
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 Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl404
b:90.0
occ:1.00
|
H
|
E:ILE17
|
2.3
|
55.1
|
1.0
|
HD2
|
E:PRO16
|
2.7
|
53.2
|
1.0
|
HB
|
E:ILE17
|
2.7
|
54.4
|
1.0
|
O
|
E:ASN20
|
2.8
|
34.5
|
1.0
|
O
|
E:LEU23
|
2.8
|
44.5
|
1.0
|
HA
|
E:LEU15
|
2.9
|
47.6
|
1.0
|
HB3
|
E:LEU15
|
3.0
|
48.8
|
1.0
|
O
|
E:ILE17
|
3.0
|
58.5
|
1.0
|
HB3
|
E:ASN20
|
3.0
|
38.2
|
1.0
|
HB3
|
E:LEU23
|
3.1
|
40.3
|
1.0
|
N
|
E:ILE17
|
3.1
|
56.2
|
1.0
|
C
|
E:LEU15
|
3.4
|
43.0
|
1.0
|
CA
|
E:LEU15
|
3.4
|
43.1
|
1.0
|
CD
|
E:PRO16
|
3.4
|
48.9
|
1.0
|
N
|
E:PRO16
|
3.5
|
50.4
|
1.0
|
CB
|
E:ILE17
|
3.5
|
56.2
|
1.0
|
CA
|
E:ILE17
|
3.6
|
56.9
|
1.0
|
CB
|
E:LEU15
|
3.6
|
44.6
|
1.0
|
HD23
|
E:LEU15
|
3.7
|
47.5
|
1.0
|
C
|
E:ILE17
|
3.7
|
58.3
|
1.0
|
C
|
E:LEU23
|
3.8
|
43.1
|
1.0
|
HD23
|
E:LEU23
|
3.8
|
40.2
|
1.0
|
CB
|
E:ASN20
|
3.8
|
35.1
|
1.0
|
C
|
E:ASN20
|
3.9
|
35.9
|
1.0
|
HD3
|
E:PRO16
|
3.9
|
53.2
|
1.0
|
OD1
|
E:ASN20
|
3.9
|
32.3
|
1.0
|
O
|
E:LEU15
|
3.9
|
44.3
|
1.0
|
HD22
|
E:LEU15
|
4.0
|
47.5
|
1.0
|
H
|
E:LEU23
|
4.0
|
41.5
|
1.0
|
CB
|
E:LEU23
|
4.0
|
43.1
|
1.0
|
CG
|
E:ASN20
|
4.0
|
33.3
|
1.0
|
HD22
|
E:LEU23
|
4.0
|
40.2
|
1.0
|
HD12
|
E:ILE17
|
4.1
|
52.2
|
1.0
|
HG13
|
E:ILE17
|
4.1
|
53.2
|
1.0
|
C
|
E:PRO16
|
4.2
|
51.2
|
1.0
|
CD2
|
E:LEU15
|
4.2
|
44.0
|
1.0
|
CA
|
E:LEU23
|
4.3
|
42.8
|
1.0
|
CG1
|
E:ILE17
|
4.3
|
55.5
|
1.0
|
HB2
|
E:LEU15
|
4.3
|
48.8
|
1.0
|
H
|
E:ASN20
|
4.3
|
41.9
|
1.0
|
CD2
|
E:LEU23
|
4.4
|
42.8
|
1.0
|
CA
|
E:ASN20
|
4.4
|
36.9
|
1.0
|
CA
|
E:PRO16
|
4.4
|
50.8
|
1.0
|
N
|
E:LEU23
|
4.4
|
44.0
|
1.0
|
HG22
|
E:ILE17
|
4.5
|
55.1
|
1.0
|
HB2
|
E:LEU23
|
4.5
|
40.3
|
1.0
|
HA
|
E:ILE17
|
4.6
|
55.4
|
1.0
|
CG
|
E:LEU15
|
4.6
|
44.9
|
1.0
|
HG2
|
E:PRO16
|
4.6
|
52.6
|
1.0
|
CG
|
E:PRO16
|
4.6
|
48.5
|
1.0
|
HB2
|
E:ASN20
|
4.6
|
38.2
|
1.0
|
CG2
|
E:ILE17
|
4.6
|
57.4
|
1.0
|
HA
|
E:GLN24
|
4.6
|
54.8
|
1.0
|
CD1
|
E:ILE17
|
4.7
|
54.8
|
1.0
|
HA
|
E:ARG21
|
4.7
|
56.9
|
1.0
|
N
|
E:LEU15
|
4.8
|
43.4
|
1.0
|
CG
|
E:LEU23
|
4.8
|
42.5
|
1.0
|
N
|
E:ASN20
|
4.8
|
39.0
|
1.0
|
N
|
E:GLN24
|
4.9
|
51.5
|
1.0
|
ND2
|
E:ASN20
|
4.9
|
33.2
|
1.0
|
N
|
E:ARG21
|
5.0
|
75.2
|
1.0
|
|
Chlorine binding site 8 out
of 11 in 6x3j
Go back to
Chlorine Binding Sites List in 6x3j
Chlorine binding site 8 out
of 11 in the Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46)
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 Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl405
b:91.2
occ:1.00
|
H
|
E:GLY163
|
2.0
|
43.1
|
1.0
|
HD21
|
C:ASN164
|
2.2
|
52.4
|
1.0
|
HA
|
E:ALA149
|
2.7
|
47.8
|
1.0
|
N
|
E:GLY163
|
2.8
|
39.7
|
1.0
|
HB2
|
E:ALA149
|
2.8
|
47.8
|
1.0
|
O
|
E:ALA147
|
3.0
|
47.1
|
1.0
|
ND2
|
C:ASN164
|
3.0
|
49.3
|
1.0
|
HA2
|
E:GLY163
|
3.1
|
43.9
|
1.0
|
N
|
E:ALA149
|
3.2
|
50.7
|
1.0
|
CA
|
E:ALA149
|
3.2
|
50.4
|
1.0
|
OD1
|
C:ASN164
|
3.3
|
48.9
|
1.0
|
CB
|
E:ALA149
|
3.4
|
49.9
|
1.0
|
HB2
|
E:GLU148
|
3.4
|
57.2
|
1.0
|
CA
|
E:GLY163
|
3.4
|
41.0
|
1.0
|
H
|
E:ALA149
|
3.5
|
47.5
|
1.0
|
C
|
E:GLU148
|
3.5
|
54.6
|
1.0
|
HA3
|
E:GLY162
|
3.5
|
36.9
|
1.0
|
HB3
|
E:ALA146
|
3.6
|
41.3
|
1.0
|
O
|
E:HOH523
|
3.6
|
41.5
|
1.0
|
CG
|
C:ASN164
|
3.6
|
49.1
|
1.0
|
HA2
|
E:GLY162
|
3.6
|
36.9
|
1.0
|
HD22
|
C:ASN164
|
3.7
|
52.4
|
1.0
|
C
|
E:GLY162
|
3.7
|
42.7
|
1.0
|
HB1
|
E:ALA149
|
3.8
|
47.8
|
1.0
|
O
|
E:GLU148
|
3.8
|
55.4
|
1.0
|
CA
|
E:GLY162
|
3.8
|
41.5
|
1.0
|
C
|
E:ALA147
|
4.0
|
45.2
|
1.0
|
C
|
E:GLY163
|
4.1
|
39.4
|
1.0
|
O
|
E:GLY163
|
4.2
|
37.3
|
1.0
|
HG11
|
C:VAL150
|
4.2
|
41.6
|
1.0
|
CB
|
E:GLU148
|
4.2
|
57.1
|
1.0
|
HB3
|
E:ALA149
|
4.2
|
47.8
|
1.0
|
HA3
|
E:GLY163
|
4.3
|
43.9
|
1.0
|
O
|
E:ALA146
|
4.3
|
36.3
|
1.0
|
CA
|
E:GLU148
|
4.3
|
54.7
|
1.0
|
HB1
|
E:ALA146
|
4.3
|
41.3
|
1.0
|
CB
|
E:ALA146
|
4.4
|
39.6
|
1.0
|
N
|
E:GLU148
|
4.5
|
54.1
|
1.0
|
HG21
|
C:VAL150
|
4.5
|
42.0
|
1.0
|
HE1
|
C:MET134
|
4.6
|
61.5
|
1.0
|
C
|
E:ALA146
|
4.6
|
37.2
|
1.0
|
HB3
|
E:GLU148
|
4.6
|
57.2
|
1.0
|
C
|
E:ALA149
|
4.7
|
49.0
|
1.0
|
H
|
E:VAL150
|
4.8
|
46.4
|
1.0
|
O
|
E:GLY162
|
4.8
|
43.2
|
1.0
|
N
|
E:ALA147
|
5.0
|
44.5
|
1.0
|
|
Chlorine binding site 9 out
of 11 in 6x3j
Go back to
Chlorine Binding Sites List in 6x3j
Chlorine binding site 9 out
of 11 in the Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46)
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 Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl402
b:74.0
occ:1.00
|
O
|
F:HOH523
|
2.4
|
42.6
|
1.0
|
HE1
|
F:TYR57
|
3.9
|
41.6
|
1.0
|
CE1
|
F:TYR57
|
3.9
|
46.0
|
1.0
|
H
|
F:TYR57
|
4.1
|
43.8
|
1.0
|
CZ
|
F:TYR57
|
4.2
|
44.5
|
1.0
|
CD1
|
F:TYR57
|
4.3
|
46.1
|
1.0
|
OD2
|
C:ASP44
|
4.3
|
47.5
|
1.0
|
HD22
|
F:LEU56
|
4.4
|
30.9
|
1.0
|
HD1
|
F:TYR57
|
4.5
|
42.5
|
1.0
|
HG3
|
C:PRO76
|
4.6
|
41.7
|
1.0
|
HH
|
F:TYR59
|
4.6
|
42.0
|
1.0
|
OH
|
F:TYR57
|
4.6
|
45.0
|
1.0
|
HB3
|
F:LEU56
|
4.6
|
31.4
|
1.0
|
F19
|
F:O7V401
|
4.7
|
57.1
|
1.0
|
OH
|
F:TYR59
|
4.7
|
49.3
|
1.0
|
O
|
F:HOH504
|
4.7
|
55.6
|
1.0
|
CE2
|
F:TYR57
|
4.8
|
42.7
|
1.0
|
HA
|
F:TYR57
|
4.8
|
44.1
|
1.0
|
CG
|
F:TYR57
|
4.9
|
44.4
|
1.0
|
N
|
F:TYR57
|
4.9
|
44.3
|
1.0
|
|
Chlorine binding site 10 out
of 11 in 6x3j
Go back to
Chlorine Binding Sites List in 6x3j
Chlorine binding site 10 out
of 11 in the Crystal Structure of Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46)
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 Streptogramin A Acetyltransferase Vata From Staphylococcus Aureus in Complex with Streptogramin Analog F0224 (46) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl403
b:87.0
occ:1.00
|
H
|
F:GLY91
|
2.2
|
48.7
|
1.0
|
H
|
F:ASP90
|
2.6
|
55.0
|
1.0
|
O
|
F:SER92
|
2.8
|
43.3
|
1.0
|
O
|
C:ILE202
|
2.8
|
42.8
|
1.0
|
N
|
F:ASP90
|
2.9
|
54.7
|
1.0
|
N
|
F:GLY91
|
2.9
|
49.4
|
1.0
|
HG2
|
F:ARG88
|
2.9
|
53.1
|
1.0
|
HB2
|
F:ASP90
|
3.2
|
56.3
|
1.0
|
HB3
|
F:ARG88
|
3.2
|
52.5
|
1.0
|
HD3
|
F:ARG88
|
3.3
|
53.6
|
1.0
|
O
|
F:ARG88
|
3.3
|
50.2
|
1.0
|
C
|
F:ARG88
|
3.3
|
51.7
|
1.0
|
HA
|
F:MET89
|
3.4
|
54.8
|
1.0
|
N
|
F:MET89
|
3.4
|
51.7
|
1.0
|
C
|
F:MET89
|
3.4
|
51.1
|
1.0
|
C
|
F:SER92
|
3.5
|
41.4
|
1.0
|
C
|
F:GLY91
|
3.5
|
45.8
|
1.0
|
N
|
F:SER92
|
3.5
|
41.6
|
1.0
|
CA
|
F:MET89
|
3.6
|
50.6
|
1.0
|
CG
|
F:ARG88
|
3.6
|
54.9
|
1.0
|
CA
|
F:ASP90
|
3.6
|
55.3
|
1.0
|
C
|
F:ASP90
|
3.7
|
53.7
|
1.0
|
CA
|
F:GLY91
|
3.7
|
47.5
|
1.0
|
CB
|
F:ARG88
|
3.8
|
53.8
|
1.0
|
H
|
F:SER92
|
3.8
|
38.7
|
1.0
|
H
|
F:MET89
|
3.8
|
55.0
|
1.0
|
CD
|
F:ARG88
|
3.9
|
55.6
|
1.0
|
CB
|
F:ASP90
|
3.9
|
56.7
|
1.0
|
HA
|
F:THR93
|
3.9
|
47.0
|
1.0
|
HG23
|
C:ILE202
|
3.9
|
42.0
|
1.0
|
C
|
C:ILE202
|
4.0
|
43.5
|
1.0
|
O
|
F:GLY91
|
4.1
|
45.0
|
1.0
|
HA3
|
F:GLY91
|
4.1
|
48.5
|
1.0
|
CA
|
F:SER92
|
4.2
|
40.4
|
1.0
|
HA
|
C:ILE202
|
4.2
|
43.0
|
1.0
|
HE
|
F:ARG88
|
4.2
|
54.3
|
1.0
|
CA
|
F:ARG88
|
4.2
|
53.0
|
1.0
|
HH22
|
C:ARG172
|
4.2
|
49.2
|
1.0
|
N
|
F:THR93
|
4.3
|
42.8
|
1.0
|
O
|
F:MET89
|
4.4
|
50.5
|
1.0
|
NE
|
F:ARG88
|
4.4
|
56.8
|
1.0
|
HG3
|
F:ARG88
|
4.5
|
53.1
|
1.0
|
HB3
|
F:ASP90
|
4.5
|
56.3
|
1.0
|
HA2
|
F:GLY91
|
4.5
|
48.5
|
1.0
|
HA
|
F:ASP90
|
4.6
|
55.6
|
1.0
|
HG22
|
F:THR93
|
4.6
|
46.5
|
1.0
|
CA
|
F:THR93
|
4.6
|
43.7
|
1.0
|
CA
|
C:ILE202
|
4.7
|
44.2
|
1.0
|
HB2
|
F:ARG88
|
4.7
|
52.5
|
1.0
|
HH21
|
C:ARG172
|
4.7
|
49.2
|
1.0
|
HD2
|
F:ARG88
|
4.7
|
53.6
|
1.0
|
HA
|
F:SER92
|
4.8
|
38.2
|
1.0
|
HA
|
F:ARG88
|
4.8
|
51.8
|
1.0
|
NH2
|
C:ARG172
|
4.8
|
50.4
|
1.0
|
CG
|
F:ASP90
|
4.8
|
58.5
|
1.0
|
CG2
|
C:ILE202
|
4.8
|
43.6
|
1.0
|
HA
|
C:ASN203
|
4.9
|
56.1
|
1.0
|
O
|
F:ASP90
|
4.9
|
53.4
|
1.0
|
HB3
|
F:SER92
|
5.0
|
38.4
|
1.0
|
HG22
|
C:ILE202
|
5.0
|
42.0
|
1.0
|
H
|
F:THR93
|
5.0
|
47.2
|
1.0
|
|
Reference:
Q.Li,
J.Pellegrino,
D.J.Lee,
A.A.Tran,
H.A.Chaires,
R.Wang,
J.E.Park,
K.Ji,
D.Chow,
N.Zhang,
A.F.Brilot,
J.T.Biel,
G.Van Zundert,
K.Borrelli,
D.Shinabarger,
C.Wolfe,
B.Murray,
M.P.Jacobson,
E.Muhle,
O.Chesneau,
J.S.Fraser,
I.B.Seiple.
Synthetic Group A Streptogramin Antibiotics That Overcome Vat Resistance. Nature V. 586 145 2020.
ISSN: ESSN 1476-4687
PubMed: 32968273
DOI: 10.1038/S41586-020-2761-3
Page generated: Mon Jul 29 17:03:30 2024
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