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Atomistry » Magnesium » PDB 6vzq-6whe » 6waa | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Magnesium » PDB 6vzq-6whe » 6waa » |
Magnesium in PDB 6waa: K. Pneumoniae Topoisomerase IV (Pare-Parc) in Complex with Dna and Compound 34 (7-[(1S,5R)-1-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl]-4- (Aminomethyl)-1-Cyclopropyl-3,6-Difluoro-8-Methylquinolin-2(1H)-One)Enzymatic activity of K. Pneumoniae Topoisomerase IV (Pare-Parc) in Complex with Dna and Compound 34 (7-[(1S,5R)-1-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl]-4- (Aminomethyl)-1-Cyclopropyl-3,6-Difluoro-8-Methylquinolin-2(1H)-One)
All present enzymatic activity of K. Pneumoniae Topoisomerase IV (Pare-Parc) in Complex with Dna and Compound 34 (7-[(1S,5R)-1-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl]-4- (Aminomethyl)-1-Cyclopropyl-3,6-Difluoro-8-Methylquinolin-2(1H)-One):
5.6.2.2; Protein crystallography data
The structure of K. Pneumoniae Topoisomerase IV (Pare-Parc) in Complex with Dna and Compound 34 (7-[(1S,5R)-1-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl]-4- (Aminomethyl)-1-Cyclopropyl-3,6-Difluoro-8-Methylquinolin-2(1H)-One), PDB code: 6waa
was solved by
J.Noeske,
W.Shu,
C.Bellamacina,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 6waa:
The structure of K. Pneumoniae Topoisomerase IV (Pare-Parc) in Complex with Dna and Compound 34 (7-[(1S,5R)-1-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl]-4- (Aminomethyl)-1-Cyclopropyl-3,6-Difluoro-8-Methylquinolin-2(1H)-One) also contains other interesting chemical elements:
Magnesium Binding Sites:Pages:>>> Page 1 <<< Page 2, Binding sites: 11 - 11;Binding sites:The binding sites of Magnesium atom in the K. Pneumoniae Topoisomerase IV (Pare-Parc) in Complex with Dna and Compound 34 (7-[(1S,5R)-1-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl]-4- (Aminomethyl)-1-Cyclopropyl-3,6-Difluoro-8-Methylquinolin-2(1H)-One) (pdb code 6waa). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.In total 11 binding sites of Magnesium where determined in the K. Pneumoniae Topoisomerase IV (Pare-Parc) in Complex with Dna and Compound 34 (7-[(1S,5R)-1-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl]-4- (Aminomethyl)-1-Cyclopropyl-3,6-Difluoro-8-Methylquinolin-2(1H)-One), PDB code: 6waa: Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10; Magnesium binding site 1 out of 11 in 6waaGo back to Magnesium Binding Sites List in 6waa
Magnesium binding site 1 out
of 11 in the K. Pneumoniae Topoisomerase IV (Pare-Parc) in Complex with Dna and Compound 34 (7-[(1S,5R)-1-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl]-4- (Aminomethyl)-1-Cyclopropyl-3,6-Difluoro-8-Methylquinolin-2(1H)-One)
Mono view Stereo pair view
Magnesium binding site 2 out of 11 in 6waaGo back to Magnesium Binding Sites List in 6waa
Magnesium binding site 2 out
of 11 in the K. Pneumoniae Topoisomerase IV (Pare-Parc) in Complex with Dna and Compound 34 (7-[(1S,5R)-1-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl]-4- (Aminomethyl)-1-Cyclopropyl-3,6-Difluoro-8-Methylquinolin-2(1H)-One)
Mono view Stereo pair view
Magnesium binding site 3 out of 11 in 6waaGo back to Magnesium Binding Sites List in 6waa
Magnesium binding site 3 out
of 11 in the K. Pneumoniae Topoisomerase IV (Pare-Parc) in Complex with Dna and Compound 34 (7-[(1S,5R)-1-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl]-4- (Aminomethyl)-1-Cyclopropyl-3,6-Difluoro-8-Methylquinolin-2(1H)-One)
Mono view Stereo pair view
Magnesium binding site 4 out of 11 in 6waaGo back to Magnesium Binding Sites List in 6waa
Magnesium binding site 4 out
of 11 in the K. Pneumoniae Topoisomerase IV (Pare-Parc) in Complex with Dna and Compound 34 (7-[(1S,5R)-1-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl]-4- (Aminomethyl)-1-Cyclopropyl-3,6-Difluoro-8-Methylquinolin-2(1H)-One)
Mono view Stereo pair view
Magnesium binding site 5 out of 11 in 6waaGo back to Magnesium Binding Sites List in 6waa
Magnesium binding site 5 out
of 11 in the K. Pneumoniae Topoisomerase IV (Pare-Parc) in Complex with Dna and Compound 34 (7-[(1S,5R)-1-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl]-4- (Aminomethyl)-1-Cyclopropyl-3,6-Difluoro-8-Methylquinolin-2(1H)-One)
Mono view Stereo pair view
Magnesium binding site 6 out of 11 in 6waaGo back to Magnesium Binding Sites List in 6waa
Magnesium binding site 6 out
of 11 in the K. Pneumoniae Topoisomerase IV (Pare-Parc) in Complex with Dna and Compound 34 (7-[(1S,5R)-1-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl]-4- (Aminomethyl)-1-Cyclopropyl-3,6-Difluoro-8-Methylquinolin-2(1H)-One)
Mono view Stereo pair view
Magnesium binding site 7 out of 11 in 6waaGo back to Magnesium Binding Sites List in 6waa
Magnesium binding site 7 out
of 11 in the K. Pneumoniae Topoisomerase IV (Pare-Parc) in Complex with Dna and Compound 34 (7-[(1S,5R)-1-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl]-4- (Aminomethyl)-1-Cyclopropyl-3,6-Difluoro-8-Methylquinolin-2(1H)-One)
Mono view Stereo pair view
Magnesium binding site 8 out of 11 in 6waaGo back to Magnesium Binding Sites List in 6waa
Magnesium binding site 8 out
of 11 in the K. Pneumoniae Topoisomerase IV (Pare-Parc) in Complex with Dna and Compound 34 (7-[(1S,5R)-1-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl]-4- (Aminomethyl)-1-Cyclopropyl-3,6-Difluoro-8-Methylquinolin-2(1H)-One)
Mono view Stereo pair view
Magnesium binding site 9 out of 11 in 6waaGo back to Magnesium Binding Sites List in 6waa
Magnesium binding site 9 out
of 11 in the K. Pneumoniae Topoisomerase IV (Pare-Parc) in Complex with Dna and Compound 34 (7-[(1S,5R)-1-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl]-4- (Aminomethyl)-1-Cyclopropyl-3,6-Difluoro-8-Methylquinolin-2(1H)-One)
Mono view Stereo pair view
Magnesium binding site 10 out of 11 in 6waaGo back to Magnesium Binding Sites List in 6waa
Magnesium binding site 10 out
of 11 in the K. Pneumoniae Topoisomerase IV (Pare-Parc) in Complex with Dna and Compound 34 (7-[(1S,5R)-1-Amino-3-Azabicyclo[3.1.0]Hexan-3-Yl]-4- (Aminomethyl)-1-Cyclopropyl-3,6-Difluoro-8-Methylquinolin-2(1H)-One)
Mono view Stereo pair view
Reference:
C.K.Skepper,
D.Armstrong,
C.J.Balibar,
D.Bauer,
C.Bellamacina,
B.M.Benton,
D.Bussiere,
G.De Pascale,
J.De Vicente,
C.R.Dean,
B.Dhumale,
L.M.Fisher,
J.Fuller,
M.Fulsunder,
L.M.Holder,
C.Hu,
B.Kantariya,
G.Lapointe,
J.A.Leeds,
X.Li,
P.Lu,
A.Lvov,
S.Ma,
S.Madhavan,
S.Malekar,
D.Mckenney,
W.Mergo,
L.Metzger,
H.E.Moser,
D.Mutnick,
J.Noeske,
C.Osborne,
A.Patel,
D.Patel,
T.Patel,
K.Prajapati,
K.R.Prosen,
F.Reck,
D.L.Richie,
A.Rico,
M.R.Sanderson,
S.Satasia,
W.S.Sawyer,
J.Selvarajah,
N.Shah,
K.Shanghavi,
W.Shu,
K.V.Thompson,
M.Traebert,
A.Vala,
L.Vala,
D.A.Veselkov,
J.Vo,
M.Wang,
M.Widya,
S.L.Williams,
Y.Xu,
Q.Yue,
R.Zang,
B.Zhou,
A.Rivkin.
Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria. J.Med.Chem. V. 63 7773 2020.
Page generated: Tue Oct 1 22:56:26 2024
ISSN: ISSN 0022-2623 PubMed: 32634310 DOI: 10.1021/ACS.JMEDCHEM.0C00347 |
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