Manganese in PDB 9fz6: A 2.58A Crystal Structure of S. Aureus Dna Gyrase and Dna with Metals Identified Through Anomalous Scattering
Enzymatic activity of A 2.58A Crystal Structure of S. Aureus Dna Gyrase and Dna with Metals Identified Through Anomalous Scattering
All present enzymatic activity of A 2.58A Crystal Structure of S. Aureus Dna Gyrase and Dna with Metals Identified Through Anomalous Scattering:
5.6.2.2;
Protein crystallography data
The structure of A 2.58A Crystal Structure of S. Aureus Dna Gyrase and Dna with Metals Identified Through Anomalous Scattering, PDB code: 9fz6
was solved by
H.Morgan,
R.Duman,
B.D.Bax,
A.J.Warren,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
57.72 /
2.58
|
Space group
|
P 61
|
Cell size a, b, c (Å), α, β, γ (°)
|
93.633,
93.633,
410.874,
90,
90,
120
|
R / Rfree (%)
|
14 /
20
|
Manganese Binding Sites:
The binding sites of Manganese atom in the A 2.58A Crystal Structure of S. Aureus Dna Gyrase and Dna with Metals Identified Through Anomalous Scattering
(pdb code 9fz6). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 5 binding sites of Manganese where determined in the
A 2.58A Crystal Structure of S. Aureus Dna Gyrase and Dna with Metals Identified Through Anomalous Scattering, PDB code: 9fz6:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
Manganese binding site 1 out
of 5 in 9fz6
Go back to
Manganese Binding Sites List in 9fz6
Manganese binding site 1 out
of 5 in the A 2.58A Crystal Structure of S. Aureus Dna Gyrase and Dna with Metals Identified Through Anomalous Scattering
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of A 2.58A Crystal Structure of S. Aureus Dna Gyrase and Dna with Metals Identified Through Anomalous Scattering within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn701
b:50.0
occ:1.00
|
O
|
B:HOH806
|
2.1
|
68.0
|
1.0
|
O
|
B:HOH809
|
2.1
|
58.7
|
1.0
|
OD2
|
B:ASP510
|
2.1
|
45.6
|
1.0
|
OD2
|
B:ASP508
|
2.2
|
52.5
|
1.0
|
O
|
B:HOH813
|
2.2
|
64.7
|
1.0
|
O
|
B:HOH810
|
2.2
|
45.8
|
1.0
|
CG
|
B:ASP510
|
3.1
|
50.4
|
1.0
|
CG
|
B:ASP508
|
3.2
|
63.5
|
1.0
|
OD1
|
B:ASP510
|
3.4
|
46.3
|
1.0
|
CB
|
B:ASP508
|
3.5
|
63.7
|
1.0
|
OE2
|
B:GLU435
|
4.2
|
48.2
|
1.0
|
OD1
|
B:ASP508
|
4.3
|
61.6
|
1.0
|
O
|
G:HOH2207
|
4.3
|
40.3
|
0.7
|
CB
|
B:ASP510
|
4.4
|
52.2
|
1.0
|
OP1
|
E:DG8
|
4.5
|
50.1
|
1.0
|
CB
|
B:ASP512
|
4.8
|
57.5
|
1.0
|
CD
|
B:GLU435
|
4.8
|
56.5
|
1.0
|
OE1
|
B:GLU435
|
4.8
|
51.5
|
1.0
|
C5'
|
E:DG8
|
4.9
|
56.1
|
1.0
|
CA
|
B:ASP508
|
5.0
|
66.5
|
1.0
|
|
Manganese binding site 2 out
of 5 in 9fz6
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Manganese Binding Sites List in 9fz6
Manganese binding site 2 out
of 5 in the A 2.58A Crystal Structure of S. Aureus Dna Gyrase and Dna with Metals Identified Through Anomalous Scattering
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of A 2.58A Crystal Structure of S. Aureus Dna Gyrase and Dna with Metals Identified Through Anomalous Scattering within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn901
b:60.9
occ:0.20
|
O3
|
C:BTB902
|
1.9
|
190.2
|
0.8
|
NE2
|
C:HIS390
|
2.1
|
55.4
|
0.8
|
N
|
C:BTB902
|
2.1
|
58.5
|
0.2
|
O4
|
C:BTB902
|
2.2
|
61.3
|
0.2
|
NE2
|
C:HIS390
|
2.2
|
62.4
|
0.2
|
O3
|
C:BTB902
|
2.2
|
63.3
|
0.2
|
O6
|
C:BTB902
|
2.2
|
57.1
|
0.2
|
O8
|
C:BTB902
|
2.2
|
57.8
|
0.2
|
O4
|
C:BTB902
|
2.2
|
160.0
|
0.8
|
CE1
|
C:HIS390
|
2.5
|
62.2
|
0.8
|
CE1
|
C:HIS390
|
2.5
|
64.9
|
0.2
|
O6
|
C:BTB902
|
2.6
|
177.1
|
0.8
|
O8
|
C:BTB902
|
2.6
|
173.9
|
0.8
|
C2
|
C:BTB902
|
2.7
|
60.8
|
0.2
|
C3
|
C:BTB902
|
2.8
|
60.4
|
0.2
|
N
|
C:BTB902
|
2.8
|
187.2
|
0.8
|
C5
|
C:BTB902
|
2.9
|
57.5
|
0.2
|
C6
|
C:BTB902
|
2.9
|
58.0
|
0.2
|
C4
|
C:BTB902
|
2.9
|
61.5
|
0.2
|
C3
|
C:BTB902
|
3.0
|
185.9
|
0.8
|
C7
|
C:BTB902
|
3.0
|
59.8
|
0.2
|
C8
|
C:BTB902
|
3.1
|
59.8
|
0.2
|
C2
|
C:BTB902
|
3.2
|
184.6
|
0.8
|
C4
|
C:BTB902
|
3.2
|
175.1
|
0.8
|
CD2
|
C:HIS390
|
3.4
|
59.6
|
0.8
|
CD2
|
C:HIS390
|
3.5
|
63.9
|
0.2
|
C7
|
C:BTB902
|
3.6
|
187.7
|
0.8
|
C8
|
C:BTB902
|
3.6
|
182.4
|
0.8
|
C6
|
C:BTB902
|
3.7
|
179.3
|
0.8
|
C5
|
C:BTB902
|
3.8
|
182.3
|
0.8
|
ND1
|
C:HIS390
|
3.8
|
57.1
|
0.8
|
ND1
|
C:HIS390
|
3.8
|
63.9
|
0.2
|
C1
|
C:BTB902
|
4.2
|
61.1
|
0.2
|
CG
|
C:HIS390
|
4.3
|
57.8
|
0.8
|
CG
|
C:HIS390
|
4.3
|
63.4
|
0.2
|
OD2
|
C:ASP389
|
4.4
|
71.4
|
1.0
|
CB
|
C:ASP389
|
4.5
|
57.3
|
1.0
|
C1
|
C:BTB902
|
4.7
|
186.1
|
0.8
|
CG
|
C:ASP389
|
4.9
|
59.6
|
1.0
|
|
Manganese binding site 3 out
of 5 in 9fz6
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Manganese Binding Sites List in 9fz6
Manganese binding site 3 out
of 5 in the A 2.58A Crystal Structure of S. Aureus Dna Gyrase and Dna with Metals Identified Through Anomalous Scattering
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of A 2.58A Crystal Structure of S. Aureus Dna Gyrase and Dna with Metals Identified Through Anomalous Scattering within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn701
b:59.2
occ:1.00
|
O
|
D:HOH803
|
2.2
|
63.3
|
1.0
|
O
|
D:HOH812
|
2.2
|
62.2
|
1.0
|
O
|
D:HOH809
|
2.2
|
57.4
|
1.0
|
OD2
|
D:ASP510
|
2.2
|
60.4
|
1.0
|
O
|
D:HOH810
|
2.2
|
54.7
|
1.0
|
OD2
|
D:ASP508
|
2.2
|
69.4
|
1.0
|
CG
|
D:ASP510
|
2.9
|
66.3
|
1.0
|
OD1
|
D:ASP510
|
3.1
|
64.8
|
1.0
|
CG
|
D:ASP508
|
3.2
|
71.7
|
1.0
|
CB
|
D:ASP508
|
3.5
|
67.1
|
1.0
|
OE2
|
D:GLU435
|
4.1
|
67.3
|
1.0
|
CB
|
D:ASP510
|
4.3
|
67.8
|
1.0
|
OD1
|
D:ASP508
|
4.3
|
69.5
|
1.0
|
OP1
|
F:DG8
|
4.7
|
56.7
|
1.0
|
CD
|
D:GLU435
|
5.0
|
62.9
|
1.0
|
CA
|
D:ASP508
|
5.0
|
63.4
|
1.0
|
|
Manganese binding site 4 out
of 5 in 9fz6
Go back to
Manganese Binding Sites List in 9fz6
Manganese binding site 4 out
of 5 in the A 2.58A Crystal Structure of S. Aureus Dna Gyrase and Dna with Metals Identified Through Anomalous Scattering
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of A 2.58A Crystal Structure of S. Aureus Dna Gyrase and Dna with Metals Identified Through Anomalous Scattering within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mn2101
b:89.6
occ:0.60
|
O
|
G:HOH2206
|
2.1
|
70.0
|
1.0
|
O
|
G:HOH2201
|
2.2
|
67.9
|
1.0
|
O
|
G:HOH2203
|
2.2
|
78.8
|
1.0
|
OP2
|
G:DG2009
|
2.2
|
104.8
|
0.6
|
N7
|
G:DG2009
|
2.4
|
98.1
|
0.6
|
OG
|
A:SER84
|
2.4
|
63.3
|
1.0
|
N7
|
G:DG2009
|
2.6
|
94.9
|
0.4
|
C8
|
G:DG2009
|
2.9
|
98.0
|
0.6
|
C8
|
G:DG2009
|
3.0
|
93.0
|
0.4
|
P
|
G:DG2009
|
3.4
|
124.4
|
0.6
|
OP1
|
G:DG2009
|
3.5
|
88.5
|
0.4
|
CB
|
A:SER84
|
3.6
|
62.1
|
1.0
|
C5
|
G:DG2009
|
3.7
|
100.4
|
0.6
|
OP1
|
G:DG2009
|
3.9
|
125.7
|
0.6
|
C5
|
G:DG2009
|
3.9
|
95.2
|
0.4
|
O5'
|
G:DG2009
|
4.0
|
115.9
|
0.6
|
O5'
|
G:DG2009
|
4.2
|
95.2
|
0.4
|
P
|
G:DG2009
|
4.2
|
87.1
|
0.4
|
N9
|
G:DG2009
|
4.2
|
92.9
|
0.6
|
N9
|
G:DG2009
|
4.3
|
88.8
|
0.4
|
C7
|
G:DT2010
|
4.4
|
118.6
|
1.0
|
O4
|
G:DT2010
|
4.5
|
118.5
|
1.0
|
C6
|
G:DG2009
|
4.5
|
101.8
|
0.6
|
O6
|
G:DG2009
|
4.6
|
107.6
|
0.6
|
C4
|
G:DG2009
|
4.6
|
96.0
|
0.6
|
O6
|
E:DG8
|
4.6
|
58.1
|
1.0
|
N7
|
E:DG8
|
4.7
|
57.8
|
1.0
|
O6
|
G:DG2009
|
4.8
|
101.5
|
0.4
|
C6
|
G:DG2009
|
4.8
|
96.1
|
0.4
|
C4
|
G:DG2009
|
4.8
|
90.8
|
0.4
|
CA
|
A:SER84
|
5.0
|
60.5
|
1.0
|
|
Manganese binding site 5 out
of 5 in 9fz6
Go back to
Manganese Binding Sites List in 9fz6
Manganese binding site 5 out
of 5 in the A 2.58A Crystal Structure of S. Aureus Dna Gyrase and Dna with Metals Identified Through Anomalous Scattering
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of A 2.58A Crystal Structure of S. Aureus Dna Gyrase and Dna with Metals Identified Through Anomalous Scattering within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Mn2101
b:98.5
occ:0.50
|
O6
|
H:DG2009
|
2.1
|
99.4
|
1.0
|
O
|
G:HOH2202
|
2.2
|
96.2
|
1.0
|
O
|
H:HOH2204
|
2.2
|
101.9
|
1.0
|
O
|
C:HOH1100
|
2.2
|
99.8
|
1.0
|
O
|
H:HOH2208
|
2.2
|
96.0
|
1.0
|
N4
|
G:DC2012
|
2.3
|
119.7
|
1.0
|
C6
|
H:DG2009
|
3.2
|
97.0
|
1.0
|
C4
|
G:DC2012
|
3.5
|
122.8
|
1.0
|
O6
|
F:DG8
|
3.7
|
77.4
|
1.0
|
C5
|
H:DG2009
|
4.1
|
104.5
|
1.0
|
N1
|
H:DG2009
|
4.1
|
97.0
|
1.0
|
N3
|
G:DC2012
|
4.1
|
125.4
|
1.0
|
O
|
G:HOH2205
|
4.2
|
61.1
|
1.0
|
N4
|
G:DC2013
|
4.3
|
79.6
|
1.0
|
N7
|
H:DG2009
|
4.3
|
107.7
|
1.0
|
C5
|
G:DC2012
|
4.6
|
125.6
|
1.0
|
C6
|
F:DG8
|
4.6
|
65.4
|
1.0
|
OG
|
C:SER84
|
4.8
|
71.5
|
1.0
|
|
Reference:
H.Morgan,
R.Nicholls,
A.J.Warren,
S.Ward,
G.Evans,
F.Long,
G.Murshudov,
R.Duman,
B.D.Bax.
How Do Gepotidacin and Zolifodacin Stabilize Dna-Cleavage Complexes with Bacterial Type Iia Topoisomerases? 1. Experimental Definition of Metal Binding Sites To Be Published.
Page generated: Thu Oct 31 22:45:36 2024
|