Sodium in PDB 7ahb: Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis
Enzymatic activity of Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis
All present enzymatic activity of Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis:
2.3.1.292;
Protein crystallography data
The structure of Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis, PDB code: 7ahb
was solved by
A.Faille,
L.Mourey,
J.D.Pedelacq,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
48.12 /
1.90
|
|
Space group
|
P 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
51.374,
58.355,
65.857,
65.84,
73.28,
71.02
|
|
R / Rfree (%)
|
18.8 /
22.4
|
Sodium Binding Sites:
The binding sites of Sodium atom in the Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis
(pdb code 7ahb). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 8 binding sites of Sodium where determined in the
Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis, PDB code: 7ahb:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Sodium binding site 1 out
of 8 in 7ahb
Go back to
Sodium Binding Sites List in 7ahb
Sodium binding site 1 out
of 8 in the Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na1013
b:31.7
occ:1.00
|
HE21
|
A:GLN783
|
1.9
|
29.9
|
1.0
|
|
NE2
|
A:GLN783
|
2.7
|
24.9
|
1.0
|
|
O
|
A:THR781
|
2.8
|
19.3
|
1.0
|
|
O
|
B:HOH1244
|
2.8
|
32.0
|
1.0
|
|
HG2
|
A:GLN783
|
2.9
|
25.9
|
1.0
|
|
OH
|
B:TYR857
|
2.9
|
25.1
|
1.0
|
|
HG22
|
A:THR781
|
3.1
|
30.1
|
1.0
|
|
HE22
|
A:GLN783
|
3.2
|
29.9
|
1.0
|
|
HH
|
B:TYR857
|
3.2
|
30.2
|
1.0
|
|
CG
|
A:GLN783
|
3.6
|
21.6
|
1.0
|
|
CD
|
A:GLN783
|
3.6
|
24.8
|
1.0
|
|
HB
|
A:THR781
|
3.6
|
27.1
|
1.0
|
|
O
|
A:HOH1172
|
3.8
|
17.8
|
1.0
|
|
HE1
|
B:TYR857
|
3.8
|
31.9
|
1.0
|
|
C
|
A:THR781
|
3.9
|
21.3
|
1.0
|
|
HE22
|
A:GLN677
|
3.9
|
22.6
|
1.0
|
|
HG3
|
A:GLN783
|
3.9
|
25.9
|
1.0
|
|
CZ
|
B:TYR857
|
3.9
|
24.6
|
1.0
|
|
CG2
|
A:THR781
|
3.9
|
25.1
|
1.0
|
|
O
|
A:PRO782
|
3.9
|
21.9
|
1.0
|
|
HB2
|
B:ALA831
|
4.0
|
28.6
|
1.0
|
|
HG21
|
A:THR781
|
4.1
|
30.1
|
1.0
|
|
CB
|
A:THR781
|
4.2
|
22.6
|
1.0
|
|
CE1
|
B:TYR857
|
4.2
|
26.6
|
1.0
|
|
HB3
|
B:SER856
|
4.2
|
37.6
|
1.0
|
|
C
|
A:PRO782
|
4.3
|
18.8
|
1.0
|
|
O
|
B:ALA827
|
4.4
|
20.4
|
1.0
|
|
HA
|
A:PRO782
|
4.5
|
22.0
|
1.0
|
|
O
|
A:HOH1340
|
4.5
|
21.4
|
1.0
|
|
NE2
|
A:GLN677
|
4.6
|
18.8
|
1.0
|
|
CA
|
A:THR781
|
4.7
|
19.4
|
1.0
|
|
HG23
|
A:THR781
|
4.7
|
30.1
|
1.0
|
|
N
|
A:PRO782
|
4.7
|
19.4
|
1.0
|
|
HB1
|
B:ALA827
|
4.7
|
23.9
|
1.0
|
|
CA
|
A:PRO782
|
4.7
|
18.3
|
1.0
|
|
OG
|
B:SER856
|
4.7
|
29.9
|
1.0
|
|
HA
|
B:HIS828
|
4.8
|
28.3
|
1.0
|
|
OE1
|
A:GLN783
|
4.8
|
27.1
|
1.0
|
|
N
|
A:GLN783
|
4.8
|
19.3
|
1.0
|
|
CB
|
B:SER856
|
4.9
|
31.4
|
1.0
|
|
CB
|
A:GLN783
|
4.9
|
23.3
|
1.0
|
|
CB
|
B:ALA831
|
4.9
|
23.9
|
1.0
|
|
CE2
|
B:TYR857
|
5.0
|
26.2
|
1.0
|
|
Sodium binding site 2 out
of 8 in 7ahb
Go back to
Sodium Binding Sites List in 7ahb
Sodium binding site 2 out
of 8 in the Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na1014
b:25.4
occ:1.00
|
H
|
A:ALA676
|
2.2
|
22.3
|
1.0
|
|
O
|
A:HOH1329
|
2.6
|
52.1
|
1.0
|
|
HB2
|
A:ALA676
|
2.7
|
24.7
|
1.0
|
|
HD2
|
A:PRO675
|
2.8
|
21.3
|
1.0
|
|
HB
|
A:THR674
|
2.9
|
25.1
|
1.0
|
|
N
|
A:ALA676
|
3.0
|
18.5
|
1.0
|
|
HB3
|
A:ALA676
|
3.1
|
24.7
|
1.0
|
|
CB
|
A:ALA676
|
3.2
|
20.6
|
1.0
|
|
O
|
B:HOH1201
|
3.3
|
32.0
|
1.0
|
|
HB2
|
A:PRO675
|
3.3
|
23.2
|
1.0
|
|
CD
|
A:PRO675
|
3.6
|
17.8
|
1.0
|
|
HG1
|
A:THR674
|
3.7
|
18.8
|
1.0
|
|
CA
|
A:ALA676
|
3.7
|
19.4
|
1.0
|
|
CB
|
A:THR674
|
3.7
|
20.9
|
1.0
|
|
N
|
A:PRO675
|
3.8
|
15.3
|
1.0
|
|
OG1
|
A:THR674
|
3.8
|
15.7
|
1.0
|
|
CB
|
A:PRO675
|
4.0
|
19.3
|
1.0
|
|
C
|
A:PRO675
|
4.0
|
20.3
|
1.0
|
|
HB1
|
A:ALA676
|
4.1
|
24.7
|
1.0
|
|
HG2
|
A:PRO675
|
4.1
|
26.2
|
1.0
|
|
CA
|
A:PRO675
|
4.1
|
17.6
|
1.0
|
|
CG
|
A:PRO675
|
4.2
|
21.8
|
1.0
|
|
HA
|
A:ALA676
|
4.2
|
23.2
|
1.0
|
|
C
|
A:THR674
|
4.3
|
19.6
|
1.0
|
|
HD3
|
A:PRO675
|
4.4
|
21.3
|
1.0
|
|
O
|
A:HOH1163
|
4.4
|
35.7
|
1.0
|
|
H
|
A:GLN677
|
4.5
|
17.7
|
1.0
|
|
CA
|
A:THR674
|
4.6
|
17.0
|
1.0
|
|
HG21
|
A:THR674
|
4.6
|
24.2
|
1.0
|
|
O
|
B:HOH1243
|
4.6
|
36.3
|
1.0
|
|
O
|
B:HOH1213
|
4.7
|
41.5
|
1.0
|
|
CG2
|
A:THR674
|
4.8
|
20.2
|
1.0
|
|
HA
|
A:THR674
|
4.8
|
20.4
|
1.0
|
|
HB3
|
A:PRO675
|
4.9
|
23.2
|
1.0
|
|
HG3
|
A:GLU606
|
4.9
|
37.2
|
1.0
|
|
C
|
A:ALA676
|
5.0
|
21.5
|
1.0
|
|
Sodium binding site 3 out
of 8 in 7ahb
Go back to
Sodium Binding Sites List in 7ahb
Sodium binding site 3 out
of 8 in the Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na1015
b:47.2
occ:1.00
|
H
|
A:ALA595
|
2.1
|
34.6
|
1.0
|
|
HB3
|
A:ALA595
|
2.6
|
33.7
|
1.0
|
|
OE1
|
A:GLU593
|
2.9
|
32.5
|
1.0
|
|
N
|
A:ALA595
|
2.9
|
28.9
|
1.0
|
|
HB2
|
A:ALA595
|
3.1
|
33.7
|
1.0
|
|
HB3
|
A:GLU593
|
3.1
|
37.6
|
1.0
|
|
HD2
|
A:PRO594
|
3.1
|
46.0
|
1.0
|
|
CB
|
A:ALA595
|
3.2
|
28.1
|
1.0
|
|
HA
|
A:GLU593
|
3.3
|
38.7
|
1.0
|
|
OG
|
A:SER648
|
3.3
|
25.4
|
1.0
|
|
HD12
|
A:LEU645
|
3.4
|
27.9
|
1.0
|
|
N
|
A:PRO594
|
3.4
|
36.1
|
1.0
|
|
C
|
A:GLU593
|
3.5
|
31.3
|
1.0
|
|
HD13
|
A:LEU645
|
3.5
|
27.9
|
1.0
|
|
H
|
A:PHE596
|
3.5
|
29.8
|
1.0
|
|
CA
|
A:ALA595
|
3.6
|
26.8
|
1.0
|
|
CA
|
A:GLU593
|
3.7
|
32.2
|
1.0
|
|
CD
|
A:PRO594
|
3.8
|
38.3
|
1.0
|
|
CD1
|
A:LEU645
|
3.8
|
23.3
|
1.0
|
|
HG
|
A:SER648
|
3.8
|
30.4
|
1.0
|
|
CB
|
A:GLU593
|
3.8
|
31.4
|
1.0
|
|
HB2
|
A:SER648
|
3.8
|
31.1
|
1.0
|
|
HD11
|
A:LEU645
|
3.9
|
27.9
|
1.0
|
|
C
|
A:PRO594
|
4.0
|
30.9
|
1.0
|
|
CB
|
A:SER648
|
4.0
|
25.9
|
1.0
|
|
O
|
A:GLU593
|
4.0
|
28.6
|
1.0
|
|
HB1
|
A:ALA595
|
4.0
|
33.7
|
1.0
|
|
HE2
|
A:TYR649
|
4.0
|
37.2
|
1.0
|
|
CD
|
A:GLU593
|
4.1
|
34.8
|
1.0
|
|
HB3
|
A:SER648
|
4.1
|
31.1
|
1.0
|
|
CA
|
A:PRO594
|
4.2
|
33.0
|
1.0
|
|
N
|
A:PHE596
|
4.2
|
24.9
|
1.0
|
|
HB2
|
A:PRO594
|
4.2
|
42.9
|
1.0
|
|
HA
|
A:LEU645
|
4.3
|
24.8
|
1.0
|
|
HA
|
A:ALA595
|
4.4
|
32.1
|
1.0
|
|
N
|
A:SCN1008
|
4.4
|
59.5
|
1.0
|
|
HD3
|
A:PRO594
|
4.4
|
46.0
|
1.0
|
|
CE2
|
A:TYR649
|
4.4
|
31.0
|
1.0
|
|
C
|
A:ALA595
|
4.4
|
25.4
|
1.0
|
|
HH
|
A:TYR649
|
4.5
|
42.1
|
1.0
|
|
CG
|
A:GLU593
|
4.5
|
33.2
|
1.0
|
|
OH
|
A:TYR649
|
4.6
|
35.1
|
1.0
|
|
HB2
|
A:GLU593
|
4.6
|
37.6
|
1.0
|
|
CB
|
A:PRO594
|
4.6
|
35.8
|
1.0
|
|
CZ
|
A:TYR649
|
4.7
|
33.4
|
1.0
|
|
CG
|
A:PRO594
|
4.8
|
37.6
|
1.0
|
|
HG2
|
A:PRO594
|
4.9
|
45.1
|
1.0
|
|
Sodium binding site 4 out
of 8 in 7ahb
Go back to
Sodium Binding Sites List in 7ahb
Sodium binding site 4 out
of 8 in the Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na1016
b:27.2
occ:1.00
|
HA
|
A:ALA644
|
2.6
|
24.7
|
1.0
|
|
O
|
B:LEU801
|
2.9
|
29.2
|
1.0
|
|
HD3
|
A:ARG647
|
3.0
|
40.8
|
1.0
|
|
HB3
|
B:SER800
|
3.0
|
38.7
|
1.0
|
|
C1
|
A:GOL1001
|
3.1
|
45.2
|
1.0
|
|
O1
|
A:GOL1001
|
3.1
|
24.9
|
1.0
|
|
HB2
|
A:ALA644
|
3.2
|
26.6
|
1.0
|
|
H32
|
A:GOL1001
|
3.3
|
41.5
|
1.0
|
|
CA
|
A:ALA644
|
3.4
|
20.6
|
1.0
|
|
HB2
|
B:LEU801
|
3.6
|
35.5
|
1.0
|
|
CB
|
A:ALA644
|
3.7
|
22.2
|
1.0
|
|
HG22
|
A:THR643
|
3.7
|
18.9
|
1.0
|
|
C
|
B:LEU801
|
3.8
|
29.0
|
1.0
|
|
N
|
A:ALA644
|
3.8
|
19.3
|
1.0
|
|
HB1
|
A:ALA644
|
3.8
|
26.6
|
1.0
|
|
CD
|
A:ARG647
|
3.8
|
34.0
|
1.0
|
|
H
|
B:LEU801
|
3.9
|
30.5
|
1.0
|
|
HB3
|
A:ARG647
|
3.9
|
40.6
|
1.0
|
|
HD2
|
A:ARG647
|
3.9
|
40.8
|
1.0
|
|
CB
|
B:SER800
|
3.9
|
32.2
|
1.0
|
|
N
|
B:LEU801
|
4.0
|
25.4
|
1.0
|
|
HB2
|
A:ARG647
|
4.1
|
40.6
|
1.0
|
|
H
|
A:ALA644
|
4.1
|
23.1
|
1.0
|
|
S
|
B:SCN901
|
4.1
|
42.0
|
1.0
|
|
C3
|
A:GOL1001
|
4.2
|
34.6
|
1.0
|
|
C2
|
A:GOL1001
|
4.2
|
27.1
|
1.0
|
|
C
|
A:THR643
|
4.2
|
17.3
|
1.0
|
|
CA
|
B:LEU801
|
4.3
|
27.8
|
1.0
|
|
O
|
A:THR643
|
4.3
|
18.0
|
1.0
|
|
HB2
|
B:SER800
|
4.3
|
38.7
|
1.0
|
|
CB
|
B:LEU801
|
4.4
|
29.5
|
1.0
|
|
CB
|
A:ARG647
|
4.4
|
33.9
|
1.0
|
|
HE
|
A:ARG647
|
4.4
|
44.6
|
1.0
|
|
OG
|
B:SER800
|
4.4
|
38.3
|
1.0
|
|
C
|
B:SER800
|
4.5
|
32.1
|
1.0
|
|
O
|
B:HOH1076
|
4.6
|
39.7
|
1.0
|
|
HB3
|
A:ALA644
|
4.6
|
26.6
|
1.0
|
|
HB
|
A:THR643
|
4.6
|
20.2
|
1.0
|
|
HA3
|
B:GLY802
|
4.6
|
36.1
|
1.0
|
|
CG2
|
A:THR643
|
4.6
|
15.8
|
1.0
|
|
NE
|
A:ARG647
|
4.7
|
37.1
|
1.0
|
|
C
|
A:ALA644
|
4.7
|
23.1
|
1.0
|
|
CG
|
A:ARG647
|
4.7
|
32.5
|
1.0
|
|
HB3
|
B:LEU801
|
4.7
|
35.5
|
1.0
|
|
O
|
B:HOH1005
|
4.7
|
46.9
|
1.0
|
|
CA
|
B:SER800
|
4.8
|
28.8
|
1.0
|
|
O
|
A:HOH1355
|
4.8
|
28.1
|
1.0
|
|
O3
|
A:GOL1001
|
4.8
|
36.6
|
1.0
|
|
N
|
B:GLY802
|
4.9
|
29.4
|
1.0
|
|
O
|
A:LEU640
|
4.9
|
15.6
|
1.0
|
|
HG2
|
A:ARG647
|
4.9
|
39.0
|
1.0
|
|
O
|
A:ALA644
|
4.9
|
20.5
|
1.0
|
|
H31
|
A:GOL1001
|
5.0
|
41.5
|
1.0
|
|
HG21
|
A:THR643
|
5.0
|
18.9
|
1.0
|
|
Sodium binding site 5 out
of 8 in 7ahb
Go back to
Sodium Binding Sites List in 7ahb
Sodium binding site 5 out
of 8 in the Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 5 of Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na910
b:26.9
occ:1.00
|
O
|
B:HOH1208
|
2.6
|
52.4
|
1.0
|
|
HD2
|
B:ARG774
|
3.0
|
36.0
|
1.0
|
|
HB3
|
B:ALA813
|
3.1
|
24.8
|
1.0
|
|
HG3
|
B:GLU810
|
3.3
|
33.8
|
1.0
|
|
HG1
|
B:THR814
|
3.3
|
19.9
|
1.0
|
|
HH11
|
B:ARG774
|
3.4
|
41.8
|
1.0
|
|
HB1
|
B:ALA813
|
3.4
|
24.8
|
1.0
|
|
O
|
B:HOH1157
|
3.5
|
44.0
|
1.0
|
|
OG1
|
B:THR814
|
3.6
|
16.7
|
1.0
|
|
HB3
|
B:GLN770
|
3.7
|
22.0
|
1.0
|
|
CB
|
B:ALA813
|
3.7
|
20.6
|
1.0
|
|
NE2
|
B:GLN770
|
3.8
|
18.2
|
1.0
|
|
HE22
|
B:GLN770
|
3.8
|
21.9
|
1.0
|
|
HE21
|
B:GLN770
|
3.9
|
21.9
|
1.0
|
|
HA
|
B:GLU810
|
3.9
|
31.6
|
1.0
|
|
CD
|
B:ARG774
|
4.0
|
30.0
|
1.0
|
|
CD
|
B:GLN770
|
4.0
|
19.3
|
1.0
|
|
NH1
|
B:ARG774
|
4.0
|
34.8
|
1.0
|
|
O
|
B:GLU810
|
4.1
|
16.3
|
1.0
|
|
CG
|
B:GLU810
|
4.2
|
28.1
|
1.0
|
|
N
|
B:THR814
|
4.3
|
15.9
|
1.0
|
|
H
|
B:THR814
|
4.3
|
19.0
|
1.0
|
|
HD3
|
B:ARG774
|
4.4
|
36.0
|
1.0
|
|
HA
|
B:THR814
|
4.4
|
25.9
|
1.0
|
|
OE1
|
B:GLN770
|
4.4
|
20.4
|
1.0
|
|
HB2
|
B:ALA813
|
4.4
|
24.8
|
1.0
|
|
C
|
B:ALA813
|
4.4
|
19.9
|
1.0
|
|
HH12
|
B:ARG774
|
4.4
|
41.8
|
1.0
|
|
HG2
|
B:GLN770
|
4.4
|
21.3
|
1.0
|
|
CB
|
B:GLN770
|
4.5
|
18.3
|
1.0
|
|
HG3
|
B:ARG774
|
4.5
|
31.3
|
1.0
|
|
HG2
|
B:GLU810
|
4.5
|
33.8
|
1.0
|
|
CG
|
B:GLN770
|
4.6
|
17.8
|
1.0
|
|
CA
|
B:GLU810
|
4.7
|
26.4
|
1.0
|
|
HG2
|
B:ARG774
|
4.7
|
31.3
|
1.0
|
|
CG
|
B:ARG774
|
4.7
|
26.1
|
1.0
|
|
CA
|
B:THR814
|
4.7
|
21.6
|
1.0
|
|
CA
|
B:ALA813
|
4.7
|
20.2
|
1.0
|
|
NE
|
B:ARG774
|
4.8
|
33.2
|
1.0
|
|
CB
|
B:THR814
|
4.8
|
19.2
|
1.0
|
|
CZ
|
B:ARG774
|
4.8
|
31.6
|
1.0
|
|
O
|
B:HOH1168
|
4.8
|
32.5
|
1.0
|
|
C
|
B:GLU810
|
4.8
|
22.9
|
1.0
|
|
O
|
B:ALA813
|
4.8
|
18.1
|
1.0
|
|
OE2
|
B:GLU810
|
4.9
|
33.3
|
1.0
|
|
O
|
B:HOH1224
|
4.9
|
42.7
|
1.0
|
|
HB2
|
B:GLN770
|
4.9
|
22.0
|
1.0
|
|
CB
|
B:GLU810
|
4.9
|
26.2
|
1.0
|
|
Sodium binding site 6 out
of 8 in 7ahb
Go back to
Sodium Binding Sites List in 7ahb
Sodium binding site 6 out
of 8 in the Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 6 of Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na911
b:34.9
occ:1.00
|
HZ3
|
B:LYS744
|
2.1
|
37.4
|
1.0
|
|
HZ2
|
B:LYS744
|
2.4
|
37.4
|
1.0
|
|
NZ
|
B:LYS744
|
2.6
|
31.2
|
1.0
|
|
O
|
B:LEU711
|
2.7
|
22.9
|
1.0
|
|
HD3
|
B:LYS744
|
2.7
|
35.7
|
1.0
|
|
HD2
|
B:LYS744
|
2.7
|
35.7
|
1.0
|
|
HE1
|
B:TYR715
|
2.8
|
32.8
|
1.0
|
|
CD
|
B:LYS744
|
3.1
|
29.7
|
1.0
|
|
HD12
|
B:LEU711
|
3.2
|
27.9
|
1.0
|
|
HZ1
|
B:LYS744
|
3.4
|
37.4
|
1.0
|
|
HG
|
B:LEU711
|
3.4
|
26.4
|
1.0
|
|
CE
|
B:LYS744
|
3.4
|
31.4
|
1.0
|
|
HA
|
B:LEU711
|
3.5
|
26.3
|
1.0
|
|
CE1
|
B:TYR715
|
3.6
|
27.4
|
1.0
|
|
HD21
|
B:LEU741
|
3.7
|
28.2
|
1.0
|
|
HD23
|
B:LEU741
|
3.7
|
28.2
|
1.0
|
|
O
|
B:HOH1049
|
3.7
|
29.1
|
1.0
|
|
C
|
B:LEU711
|
3.7
|
21.9
|
1.0
|
|
CD1
|
B:LEU711
|
3.8
|
23.3
|
1.0
|
|
HD11
|
B:LEU711
|
3.8
|
27.9
|
1.0
|
|
HD22
|
B:LEU741
|
3.9
|
28.2
|
1.0
|
|
CD2
|
B:LEU741
|
3.9
|
23.6
|
1.0
|
|
HE2
|
B:LYS744
|
4.0
|
37.7
|
1.0
|
|
CG
|
B:LEU711
|
4.0
|
22.0
|
1.0
|
|
CA
|
B:LEU711
|
4.0
|
21.9
|
1.0
|
|
HE3
|
B:LYS744
|
4.1
|
37.7
|
1.0
|
|
OH
|
B:TYR715
|
4.3
|
31.6
|
1.0
|
|
HD1
|
B:TYR715
|
4.3
|
34.2
|
1.0
|
|
CZ
|
B:TYR715
|
4.4
|
29.3
|
1.0
|
|
CD1
|
B:TYR715
|
4.4
|
28.5
|
1.0
|
|
CG
|
B:LYS744
|
4.5
|
29.5
|
1.0
|
|
CB
|
B:LEU711
|
4.6
|
21.4
|
1.0
|
|
HD13
|
B:LEU711
|
4.7
|
27.9
|
1.0
|
|
HA
|
B:ILE712
|
4.7
|
25.0
|
1.0
|
|
HG2
|
B:LYS744
|
4.7
|
35.4
|
1.0
|
|
HB3
|
B:LYS744
|
4.8
|
33.4
|
1.0
|
|
N
|
B:ILE712
|
4.9
|
20.9
|
1.0
|
|
Sodium binding site 7 out
of 8 in 7ahb
Go back to
Sodium Binding Sites List in 7ahb
Sodium binding site 7 out
of 8 in the Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 7 of Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na912
b:35.3
occ:1.00
|
O
|
B:HOH1011
|
2.6
|
38.3
|
1.0
|
|
HG3
|
B:PRO819
|
2.8
|
29.2
|
1.0
|
|
OH
|
B:TYR723
|
2.8
|
17.9
|
1.0
|
|
O
|
B:HOH1107
|
3.0
|
32.2
|
1.0
|
|
HH
|
B:TYR723
|
3.1
|
21.6
|
1.0
|
|
CG
|
B:PRO819
|
3.7
|
24.3
|
1.0
|
|
HB3
|
B:LEU720
|
3.8
|
23.5
|
1.0
|
|
HE1
|
B:TYR723
|
3.9
|
23.6
|
1.0
|
|
CZ
|
B:TYR723
|
3.9
|
19.8
|
1.0
|
|
HD22
|
B:LEU720
|
4.0
|
23.1
|
1.0
|
|
OE2
|
B:GLU709
|
4.0
|
21.0
|
0.5
|
|
HG2
|
B:PRO819
|
4.0
|
29.2
|
1.0
|
|
O
|
B:HOH1255
|
4.0
|
32.3
|
1.0
|
|
HB3
|
B:PRO819
|
4.1
|
28.3
|
1.0
|
|
O
|
B:HOH1152
|
4.2
|
42.7
|
1.0
|
|
HH22
|
B:ARG821
|
4.2
|
34.4
|
1.0
|
|
CE1
|
B:TYR723
|
4.3
|
19.6
|
1.0
|
|
CB
|
B:PRO819
|
4.3
|
23.6
|
1.0
|
|
HB2
|
B:PRO819
|
4.4
|
28.3
|
1.0
|
|
O
|
B:HOH1123
|
4.4
|
28.5
|
1.0
|
|
NH2
|
B:ARG821
|
4.5
|
28.6
|
1.0
|
|
HH21
|
B:ARG821
|
4.5
|
34.4
|
1.0
|
|
HD13
|
B:LEU720
|
4.5
|
22.8
|
1.0
|
|
OE2
|
B:GLU709
|
4.5
|
18.5
|
0.5
|
|
HD3
|
B:PRO819
|
4.6
|
24.3
|
1.0
|
|
CD
|
B:PRO819
|
4.8
|
20.3
|
1.0
|
|
CB
|
B:LEU720
|
4.8
|
19.6
|
1.0
|
|
O
|
B:HOH1177
|
4.8
|
30.6
|
1.0
|
|
CD2
|
B:LEU720
|
4.8
|
19.3
|
1.0
|
|
O
|
B:LEU720
|
4.9
|
13.7
|
1.0
|
|
HD21
|
B:LEU720
|
4.9
|
23.1
|
1.0
|
|
Sodium binding site 8 out
of 8 in 7ahb
Go back to
Sodium Binding Sites List in 7ahb
Sodium binding site 8 out
of 8 in the Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis
 Mono view
 Stereo pair view
|
|
A full contact list of Sodium with other atoms in the Na binding
site number 8 of Acyltransferase Domain of the Polyketide Synthase Ppsc of Mycobacterium Tuberculosis within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na913
b:33.7
occ:1.00
|
H
|
B:HIS847
|
2.4
|
35.8
|
1.0
|
|
O
|
B:HOH1222
|
2.5
|
48.5
|
1.0
|
|
HG1
|
B:THR846
|
2.9
|
33.6
|
1.0
|
|
H
|
B:THR846
|
3.0
|
31.6
|
1.0
|
|
HA
|
B:LEU844
|
3.1
|
31.1
|
1.0
|
|
HB3
|
B:HIS847
|
3.1
|
44.8
|
1.0
|
|
N
|
B:HIS847
|
3.2
|
29.8
|
1.0
|
|
C
|
B:LEU844
|
3.2
|
27.5
|
1.0
|
|
OG1
|
B:THR846
|
3.3
|
28.0
|
1.0
|
|
O
|
B:LEU844
|
3.3
|
26.3
|
1.0
|
|
N
|
B:THR846
|
3.4
|
26.3
|
1.0
|
|
HB2
|
B:HIS847
|
3.5
|
44.8
|
1.0
|
|
O
|
B:PRO843
|
3.5
|
38.6
|
1.0
|
|
CA
|
B:LEU844
|
3.6
|
25.9
|
1.0
|
|
CB
|
B:HIS847
|
3.7
|
37.3
|
1.0
|
|
O
|
B:HOH1094
|
3.7
|
23.2
|
1.0
|
|
N
|
B:LEU845
|
3.7
|
21.7
|
1.0
|
|
C
|
B:PRO843
|
3.9
|
31.0
|
1.0
|
|
HB2
|
B:PRO843
|
4.0
|
38.0
|
1.0
|
|
N
|
B:LEU844
|
4.0
|
24.1
|
1.0
|
|
C
|
B:LEU845
|
4.0
|
30.5
|
1.0
|
|
CA
|
B:HIS847
|
4.0
|
33.3
|
1.0
|
|
H
|
B:LEU845
|
4.1
|
25.9
|
1.0
|
|
CA
|
B:THR846
|
4.1
|
30.2
|
1.0
|
|
C
|
B:THR846
|
4.1
|
33.4
|
1.0
|
|
CB
|
B:THR846
|
4.3
|
31.3
|
1.0
|
|
CA
|
B:LEU845
|
4.3
|
26.4
|
1.0
|
|
HA
|
B:LEU845
|
4.4
|
31.7
|
1.0
|
|
H
|
B:SER848
|
4.5
|
34.9
|
1.0
|
|
HA
|
B:HIS847
|
4.6
|
40.0
|
1.0
|
|
H
|
B:LEU844
|
4.7
|
28.9
|
1.0
|
|
HD23
|
B:LEU844
|
4.7
|
35.5
|
1.0
|
|
O
|
B:LEU845
|
4.8
|
26.6
|
1.0
|
|
CB
|
B:PRO843
|
4.8
|
31.6
|
1.0
|
|
HB
|
B:THR846
|
4.9
|
37.6
|
1.0
|
|
CB
|
B:LEU844
|
4.9
|
27.6
|
1.0
|
|
CA
|
B:PRO843
|
5.0
|
29.2
|
1.0
|
|
Reference:
A.D.Grabowska,
Y.Brison,
L.Maveyraud,
S.Gavalda,
A.Faille,
V.Nahoum,
C.Bon,
C.Guilhot,
J.D.Pedelacq,
C.Chalut,
L.Mourey.
Molecular Basis For Extender Unit Specificity of Mycobacterial Polyketide Synthases. Acs Chem.Biol. 2020.
ISSN: ESSN 1554-8937
PubMed: 33237724
DOI: 10.1021/ACSCHEMBIO.0C00772
Page generated: Tue Oct 8 15:54:45 2024
|
