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Magnesium in PDB 3wqt: Staphylococcus Aureus Ftsa Complexed with Amppnp

Protein crystallography data

The structure of Staphylococcus Aureus Ftsa Complexed with Amppnp, PDB code: 3wqt was solved by J.Fujita, Y.Maeda, Y.Miyazaki, T.Inoue, H.Matsumura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.98 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 75.257, 102.740, 105.863, 90.00, 96.54, 90.00
R / Rfree (%) 23.4 / 28.9

Other elements in 3wqt:

The structure of Staphylococcus Aureus Ftsa Complexed with Amppnp also contains other interesting chemical elements:

Chlorine (Cl) 9 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Staphylococcus Aureus Ftsa Complexed with Amppnp (pdb code 3wqt). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Staphylococcus Aureus Ftsa Complexed with Amppnp, PDB code: 3wqt:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 3wqt

Go back to Magnesium Binding Sites List in 3wqt
Magnesium binding site 1 out of 6 in the Staphylococcus Aureus Ftsa Complexed with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Staphylococcus Aureus Ftsa Complexed with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:23.6
occ:1.00
 O2G A:ANP503 1.8 20.2 1.0
O A:HOH608 1.8 30.2 1.0
O A:HOH603 1.9 11.7 1.0
O A:HOH609 2.1 19.0 1.0
O A:HOH607 2.2 16.9 1.0
O2B A:ANP503 2.2 23.4 1.0
PG A:ANP503 3.2 24.3 1.0
PB A:ANP503 3.4 25.6 1.0
O A:HOH601 3.7 41.6 1.0
O A:HOH602 3.7 33.5 1.0
N3B A:ANP503 3.8 24.3 1.0
O3G A:ANP503 3.9 21.6 1.0
O A:HOH604 3.9 22.8 1.0
O3A A:ANP503 4.0 28.2 1.0
O2A A:ANP503 4.1 29.3 1.0
NZ A:LYS77 4.1 21.7 1.0
OD2 A:ASP10 4.3 24.8 1.0
O1G A:ANP503 4.3 26.5 1.0
OD1 A:ASP10 4.4 19.6 1.0
OD2 A:ASP206 4.5 35.3 1.0
O A:HOH606 4.6 35.4 1.0
PA A:ANP503 4.6 27.4 1.0
O1B A:ANP503 4.7 31.9 1.0
CG A:ASP10 4.8 25.2 1.0
OD1 A:ASP206 4.9 35.4 1.0
CA A:GLY12 4.9 29.1 1.0
CA A:GLY208 4.9 27.8 1.0
CG A:ASP206 5.0 34.5 1.0

Magnesium binding site 2 out of 6 in 3wqt

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Magnesium binding site 2 out of 6 in the Staphylococcus Aureus Ftsa Complexed with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Staphylococcus Aureus Ftsa Complexed with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:45.9
occ:1.00
 O A:SER13 2.1 29.7 1.0
O A:HOH712 2.3 30.4 1.0
O A:HOH711 2.3 29.8 1.0
O A:ILE41 2.6 31.4 1.0
O A:THR38 3.3 39.0 1.0
C A:SER13 3.3 27.7 1.0
OE1 A:GLU209 3.6 35.6 1.0
C A:ILE41 3.8 31.2 1.0
NH2 A:ARG233 4.0 39.5 1.0
CA A:SER39 4.0 38.3 1.0
CA A:SER13 4.1 28.0 1.0
N A:SER14 4.3 29.9 1.0
C A:THR38 4.3 39.4 1.0
O A:HOH618 4.4 31.3 1.0
CB A:SER13 4.4 28.9 1.0
CG A:LYS42 4.4 36.4 1.0
C A:SER39 4.5 36.3 1.0
CA A:SER14 4.5 30.8 1.0
OD2 A:ASP210 4.5 27.8 1.0
N A:ILE41 4.6 34.4 1.0
CA A:LYS42 4.6 30.9 1.0
N A:SER39 4.7 38.0 1.0
N A:LYS42 4.7 29.7 1.0
CA A:ILE41 4.7 33.3 1.0
O A:SER39 4.7 35.7 1.0
CD A:GLU209 4.8 37.9 1.0
CB A:SER39 5.0 41.3 1.0

Magnesium binding site 3 out of 6 in 3wqt

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Magnesium binding site 3 out of 6 in the Staphylococcus Aureus Ftsa Complexed with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Staphylococcus Aureus Ftsa Complexed with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg501

b:72.3
occ:1.00
 O2G B:ANP502 2.0 50.9 1.0
O2B B:ANP502 2.3 48.0 1.0
O B:HOH642 2.5 48.4 1.0
O B:HOH628 2.7 40.8 1.0
PG B:ANP502 3.5 52.7 1.0
PB B:ANP502 3.5 47.5 1.0
O3A B:ANP502 3.9 51.8 1.0
OD1 B:ASP206 4.0 53.9 1.0
N3B B:ANP502 4.1 50.3 1.0
O3G B:ANP502 4.1 51.5 1.0
O2A B:ANP502 4.2 52.9 1.0
OD2 B:ASP206 4.5 56.4 1.0
NZ B:LYS77 4.5 50.3 1.0
CG B:ASP206 4.5 54.0 1.0
O1G B:ANP502 4.6 46.5 1.0
PA B:ANP502 4.8 51.8 1.0
OH B:TYR189 4.8 54.7 1.0
O1B B:ANP502 4.8 48.5 1.0
CA B:GLY208 4.9 56.8 1.0
OD2 B:ASP10 4.9 65.4 1.0
OD1 B:ASP10 4.9 66.2 1.0

Magnesium binding site 4 out of 6 in 3wqt

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Magnesium binding site 4 out of 6 in the Staphylococcus Aureus Ftsa Complexed with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Staphylococcus Aureus Ftsa Complexed with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg501

b:23.4
occ:1.00
 O C:HOH647 1.9 28.0 1.0
O1B C:ANP502 2.0 23.3 1.0
O1G C:ANP502 2.0 21.6 1.0
O C:HOH636 2.1 26.2 1.0
O C:HOH634 2.1 19.5 1.0
O C:HOH721 2.1 16.9 1.0
PB C:ANP502 3.2 24.1 1.0
PG C:ANP502 3.4 25.3 1.0
O1A C:ANP502 3.7 28.7 1.0
N3B C:ANP502 3.8 24.5 1.0
O3A C:ANP502 3.9 27.0 1.0
O C:HOH638 4.0 29.6 1.0
OD2 C:ASP10 4.1 30.9 1.0
NZ C:LYS77 4.2 19.8 1.0
O2G C:ANP502 4.2 25.9 1.0
O C:HOH679 4.2 45.4 1.0
O C:HOH642 4.2 30.0 1.0
OD1 C:ASP10 4.3 27.6 1.0
NZ C:LYS17 4.3 35.0 1.0
PA C:ANP502 4.4 25.8 1.0
O2B C:ANP502 4.5 29.2 1.0
O3G C:ANP502 4.5 25.7 1.0
OD2 C:ASP206 4.5 34.6 1.0
O C:HOH637 4.6 28.8 1.0
CG C:ASP10 4.6 31.4 1.0
CA C:GLY12 4.8 29.5 1.0
O2A C:ANP502 4.9 30.4 1.0
CA C:GLY208 4.9 29.9 1.0

Magnesium binding site 5 out of 6 in 3wqt

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Magnesium binding site 5 out of 6 in the Staphylococcus Aureus Ftsa Complexed with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Staphylococcus Aureus Ftsa Complexed with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg501

b:33.8
occ:1.00
 O1B D:ANP503 1.9 21.1 1.0
O D:HOH645 1.9 36.0 1.0
O D:HOH642 2.1 29.4 1.0
O1G D:ANP503 2.1 28.3 1.0
O D:HOH639 2.1 28.6 1.0
O D:HOH621 2.2 21.9 1.0
PB D:ANP503 3.2 25.0 1.0
PG D:ANP503 3.4 27.1 1.0
N3B D:ANP503 3.8 25.6 1.0
O1A D:ANP503 3.9 30.0 1.0
O3A D:ANP503 3.9 26.5 1.0
OD2 D:ASP10 4.0 41.0 1.0
O D:HOH624 4.1 37.4 1.0
O D:HOH638 4.1 37.4 1.0
O2G D:ANP503 4.1 30.4 1.0
OD1 D:ASP10 4.2 39.5 1.0
NZ D:LYS17 4.3 47.8 1.0
NZ D:LYS77 4.3 36.2 1.0
O2B D:ANP503 4.4 23.3 1.0
PA D:ANP503 4.5 28.1 1.0
CG D:ASP10 4.5 41.9 1.0
O3G D:ANP503 4.6 28.8 1.0
CA D:GLY12 4.6 34.6 1.0
OD1 D:ASP206 4.7 35.5 1.0
OD2 D:ASP206 4.8 41.4 1.0
O2A D:ANP503 4.9 24.3 1.0

Magnesium binding site 6 out of 6 in 3wqt

Go back to Magnesium Binding Sites List in 3wqt
Magnesium binding site 6 out of 6 in the Staphylococcus Aureus Ftsa Complexed with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Staphylococcus Aureus Ftsa Complexed with Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg502

b:46.1
occ:1.00
 OD2 D:ASP50 2.0 43.2 1.0
O D:HOH685 2.1 39.3 1.0
OD1 D:ASP48 2.2 39.6 1.0
O D:HOH641 2.2 34.8 1.0
O D:HOH684 2.4 27.5 1.0
CG D:ASP50 3.2 43.0 1.0
CG D:ASP48 3.2 38.5 1.0
OD2 D:ASP48 3.6 37.7 1.0
O D:HOH649 4.0 37.0 1.0
OD1 D:ASP50 4.0 40.4 1.0
O D:HOH612 4.1 26.0 1.0
CB D:ASP50 4.2 44.8 1.0
N D:ASP50 4.2 43.8 1.0
CB D:ASP48 4.5 39.9 1.0
O D:HOH623 4.6 27.9 1.0
N D:PHE49 4.7 39.5 1.0
C D:ASP48 4.7 40.5 1.0
CA D:ASP48 4.7 40.7 1.0
CA D:ASP50 4.8 44.5 1.0

Reference:

J.Fujita, Y.Maeda, C.Nagao, Y.Tsuchiya, Y.Miyazaki, M.Hirose, E.Mizohata, Y.Matsumoto, T.Inoue, K.Mizuguchi, H.Matsumura. Crystal Structure of Ftsa From Staphylococcus Aureus Febs Lett. V. 588 1879 2014.
ISSN: ISSN 0014-5793
PubMed: 24746687
DOI: 10.1016/J.FEBSLET.2014.04.008
Page generated: Thu Aug 15 13:35:04 2024

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