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Magnesium in PDB 6quz: Structure of Atpgs-Bound Outward-Facing TM287/288 in Complex with Sybody SB_TM35

Protein crystallography data

The structure of Structure of Atpgs-Bound Outward-Facing TM287/288 in Complex with Sybody SB_TM35, PDB code: 6quz was solved by C.A.J.Hutter, L.M.Huerlimann, I.Zimmermann, P.Egloff, M.A.Seeger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.84 / 3.21
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 165.340, 77.110, 207.010, 90.00, 112.49, 90.00
R / Rfree (%) 24.3 / 26.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Atpgs-Bound Outward-Facing TM287/288 in Complex with Sybody SB_TM35 (pdb code 6quz). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structure of Atpgs-Bound Outward-Facing TM287/288 in Complex with Sybody SB_TM35, PDB code: 6quz:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 6quz

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Magnesium binding site 1 out of 4 in the Structure of Atpgs-Bound Outward-Facing TM287/288 in Complex with Sybody SB_TM35


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Atpgs-Bound Outward-Facing TM287/288 in Complex with Sybody SB_TM35 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:16.5
occ:1.00
OG A:SER373 1.9 30.2 1.0
O2G A:AGS600 2.0 27.2 1.0
OE1 A:GLN414 2.1 35.1 1.0
O2B A:AGS600 2.1 24.5 1.0
CB A:SER373 3.0 21.9 1.0
CD A:GLN414 3.1 41.0 1.0
PG A:AGS600 3.3 26.6 1.0
PB A:AGS600 3.3 25.1 1.0
O3B A:AGS600 3.5 26.2 1.0
O2A A:AGS600 3.5 25.2 1.0
NE2 A:GLN414 3.5 32.1 1.0
OD1 A:ASP494 3.8 45.0 1.0
O3A A:AGS600 3.9 25.9 1.0
N A:SER373 4.0 19.0 1.0
CA A:SER373 4.0 18.5 1.0
PA A:AGS600 4.1 26.2 1.0
O3G A:AGS600 4.2 25.1 1.0
O1A A:AGS600 4.4 28.2 1.0
S1G A:AGS600 4.4 28.6 1.0
CG A:GLN414 4.5 29.4 1.0
N B:GLN494 4.5 20.8 1.0
OD2 A:ASP494 4.5 51.6 1.0
O1B A:AGS600 4.6 24.9 1.0
CG A:ASP494 4.6 44.7 1.0
CB B:GLN494 4.7 22.1 1.0
CB A:GLN414 4.8 26.0 1.0
CB B:SER493 4.8 22.0 1.0

Magnesium binding site 2 out of 4 in 6quz

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Magnesium binding site 2 out of 4 in the Structure of Atpgs-Bound Outward-Facing TM287/288 in Complex with Sybody SB_TM35


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Atpgs-Bound Outward-Facing TM287/288 in Complex with Sybody SB_TM35 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:28.0
occ:1.00
OG1 B:THR395 2.1 35.5 1.0
OE1 B:GLN436 2.1 63.9 1.0
O3G B:AGS600 2.1 52.7 1.0
NE2 B:GLN436 2.4 62.1 1.0
O2B B:AGS600 2.4 48.0 1.0
CD B:GLN436 2.5 70.3 1.0
PG B:AGS600 3.2 52.5 1.0
CB B:THR395 3.3 37.3 1.0
O2A B:AGS600 3.4 41.6 1.0
PB B:AGS600 3.6 48.0 1.0
O3B B:AGS600 3.6 50.8 1.0
S1G B:AGS600 3.8 54.7 1.0
CG B:GLN436 4.0 54.9 1.0
OD1 B:ASP516 4.0 47.2 1.0
CG2 B:THR395 4.0 36.8 1.0
OD2 B:ASP516 4.2 53.2 1.0
N A:GLY472 4.2 30.9 1.0
N B:THR395 4.3 30.8 1.0
O3A B:AGS600 4.3 44.6 1.0
CA B:THR395 4.4 30.8 1.0
PA B:AGS600 4.4 42.5 1.0
O2G B:AGS600 4.4 51.5 1.0
CB B:GLN436 4.5 43.0 1.0
CG B:ASP516 4.5 47.4 1.0
CA A:GLY472 4.8 30.1 1.0
O1B B:AGS600 4.8 48.7 1.0
O1A B:AGS600 4.9 43.0 1.0
CB A:SER471 4.9 35.3 1.0

Magnesium binding site 3 out of 4 in 6quz

Go back to Magnesium Binding Sites List in 6quz
Magnesium binding site 3 out of 4 in the Structure of Atpgs-Bound Outward-Facing TM287/288 in Complex with Sybody SB_TM35


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Atpgs-Bound Outward-Facing TM287/288 in Complex with Sybody SB_TM35 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg601

b:35.8
occ:1.00
OG C:SER373 1.9 57.2 1.0
O2B C:AGS600 1.9 63.5 1.0
O2G C:AGS600 2.0 64.4 1.0
OE1 C:GLN414 2.0 54.8 1.0
CD C:GLN414 3.0 59.2 1.0
CB C:SER373 3.1 48.1 1.0
PG C:AGS600 3.2 63.9 1.0
PB C:AGS600 3.3 63.6 1.0
NE2 C:GLN414 3.4 50.9 1.0
O3B C:AGS600 3.5 63.8 1.0
OD1 C:ASP494 3.6 61.5 1.0
O2A C:AGS600 3.7 66.1 1.0
N C:SER373 3.9 45.0 1.0
O3A C:AGS600 4.0 64.8 1.0
CA C:SER373 4.0 44.6 1.0
S1G C:AGS600 4.2 64.1 1.0
O3G C:AGS600 4.3 63.6 1.0
PA C:AGS600 4.3 65.7 1.0
CG C:GLN414 4.4 43.4 1.0
CG C:ASP494 4.4 61.2 1.0
O1B C:AGS600 4.4 62.6 1.0
OD2 C:ASP494 4.4 67.6 1.0
O1A C:AGS600 4.6 66.5 1.0
CB C:GLN414 4.7 37.3 1.0
N D:GLN494 4.8 47.2 1.0
CB D:GLN494 4.9 47.9 1.0
CB C:LYS372 4.9 49.1 1.0

Magnesium binding site 4 out of 4 in 6quz

Go back to Magnesium Binding Sites List in 6quz
Magnesium binding site 4 out of 4 in the Structure of Atpgs-Bound Outward-Facing TM287/288 in Complex with Sybody SB_TM35


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of Atpgs-Bound Outward-Facing TM287/288 in Complex with Sybody SB_TM35 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg601

b:16.8
occ:1.00
OG1 D:THR395 2.0 42.6 1.0
O2B D:AGS600 2.3 47.2 1.0
O3G D:AGS600 2.3 51.1 1.0
OE1 D:GLN436 2.4 79.3 1.0
NE2 D:GLN436 2.4 76.8 1.0
CD D:GLN436 2.6 84.7 1.0
CB D:THR395 3.3 42.4 1.0
PG D:AGS600 3.3 51.2 1.0
PB D:AGS600 3.5 47.1 1.0
O3B D:AGS600 3.6 49.7 1.0
O2A D:AGS600 3.7 41.2 1.0
OD1 D:ASP516 3.8 70.6 1.0
S1G D:AGS600 3.9 51.1 1.0
CG D:GLN436 4.0 67.7 1.0
CG2 D:THR395 4.1 40.9 1.0
OD2 D:ASP516 4.1 75.8 1.0
N D:THR395 4.2 36.1 1.0
CA D:THR395 4.3 35.6 1.0
O3A D:AGS600 4.4 44.3 1.0
CG D:ASP516 4.4 70.1 1.0
N C:GLY472 4.5 37.4 1.0
PA D:AGS600 4.5 42.5 1.0
O2G D:AGS600 4.6 51.1 1.0
CB D:GLN436 4.6 55.6 1.0
O1B D:AGS600 4.6 47.7 1.0
O1A D:AGS600 4.9 43.0 1.0

Reference:

C.A.J.Hutter, M.H.Timachi, L.M.Hurlimann, I.Zimmermann, P.Egloff, H.Goddeke, S.Kucher, S.Stefanic, M.Karttunen, L.V.Schafer, E.Bordignon, M.A.Seeger. The Extracellular Gate Shapes the Energy Profile of An Abc Exporter. Nat Commun V. 10 2260 2019.
ISSN: ESSN 2041-1723
PubMed: 31113958
DOI: 10.1038/S41467-019-09892-6
Page generated: Tue Oct 1 16:26:43 2024

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