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Magnesium in PDB 7egr: Co-Crystal Structure of Ac-Achbpp in Complex with Rgia

Protein crystallography data

The structure of Co-Crystal Structure of Ac-Achbpp in Complex with Rgia, PDB code: 7egr was solved by X.Q.Wang, S.Pan, Y.X.Fan, Y.Xue, X.P.Zhu, S.L.Luo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.40 / 2.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 206.271, 135.955, 132.067, 90, 101.16, 90
R / Rfree (%) 17.2 / 22.1

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Co-Crystal Structure of Ac-Achbpp in Complex with Rgia (pdb code 7egr). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 10 binding sites of Magnesium where determined in the Co-Crystal Structure of Ac-Achbpp in Complex with Rgia, PDB code: 7egr:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 10 in 7egr

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Magnesium binding site 1 out of 10 in the Co-Crystal Structure of Ac-Achbpp in Complex with Rgia


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Co-Crystal Structure of Ac-Achbpp in Complex with Rgia within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg301

b:36.3
occ:1.00
 OH K:TYR410 2.1 57.1 1.0
OE2 A:GLU170 3.0 67.7 1.0
CE A:LYS42 3.3 91.4 1.0
OE2 A:GLU210 3.3 117.9 1.0
CZ K:TYR410 3.4 70.5 1.0
NH2 B:ARG96 3.6 45.3 1.0
OG A:SER167 3.7 40.4 1.0
NZ A:LYS42 3.8 94.3 1.0
CE1 K:TYR410 4.0 77.5 1.0
NH1 B:ARG96 4.0 37.4 1.0
CD A:GLU170 4.0 61.7 1.0
CD A:LYS42 4.2 89.3 1.0
OE1 A:GLU170 4.2 67.5 1.0
CG A:GLU210 4.2 106.0 1.0
CD A:GLU210 4.2 110.5 1.0
CB A:SER167 4.2 34.9 1.0
CZ B:ARG96 4.3 38.3 1.0
NE K:ARG411 4.5 77.2 1.0
CG A:LYS42 4.5 82.5 1.0
CE2 K:TYR410 4.5 60.7 1.0
NH2 K:ARG411 4.7 82.9 1.0
CD2 A:PHE169 4.9 49.1 1.0
CB A:PHE169 5.0 46.1 1.0

Magnesium binding site 2 out of 10 in 7egr

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Magnesium binding site 2 out of 10 in the Co-Crystal Structure of Ac-Achbpp in Complex with Rgia


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Co-Crystal Structure of Ac-Achbpp in Complex with Rgia within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg301

b:23.8
occ:1.00
 OE2 B:GLU170 3.4 36.0 1.0
NH2 C:ARG96 3.6 26.4 1.0
CG B:GLU210 3.7 45.1 1.0
NZ B:LYS42 3.8 50.4 1.0
OG B:SER167 3.8 34.9 1.0
CE B:LYS42 3.9 48.6 1.0
NH1 C:ARG96 3.9 27.2 1.0
OD2 C:ASP94 4.0 57.3 1.0
OE2 B:GLU210 4.1 67.5 1.0
CD B:GLU210 4.2 56.8 1.0
CD B:GLU170 4.2 36.4 1.0
CZ C:ARG96 4.2 33.7 1.0
OE1 B:GLU170 4.3 37.9 1.0
CB B:SER167 4.4 31.0 1.0
CD2 B:PHE169 4.7 28.6 1.0
OD1 C:ASP94 4.8 52.4 1.0
CG C:ASP94 4.8 46.0 1.0
CB B:GLU210 4.9 38.5 1.0

Magnesium binding site 3 out of 10 in 7egr

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Magnesium binding site 3 out of 10 in the Co-Crystal Structure of Ac-Achbpp in Complex with Rgia


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Co-Crystal Structure of Ac-Achbpp in Complex with Rgia within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg301

b:44.9
occ:1.00
 OH L:TYR410 2.2 73.4 1.0
NZ C:LYS42 2.8 77.8 1.0
OE2 C:GLU170 3.1 46.3 1.0
CZ L:TYR410 3.5 81.1 1.0
OG C:SER167 3.7 46.6 1.0
NH2 D:ARG96 3.7 51.2 1.0
OE1 C:GLU210 3.9 104.1 1.0
OE2 C:GLU210 3.9 109.6 1.0
CD C:GLU170 3.9 39.3 1.0
CE1 L:TYR410 4.0 83.0 1.0
OE1 C:GLU170 4.0 49.6 1.0
NH1 D:ARG96 4.0 38.9 1.0
CD C:GLU210 4.1 105.2 1.0
NE L:ARG411 4.1 85.6 1.0
CE C:LYS42 4.1 77.0 1.0
CB C:SER167 4.3 42.3 1.0
CZ D:ARG96 4.4 42.7 1.0
NH2 L:ARG411 4.4 79.1 1.0
CE2 L:TYR410 4.6 79.3 1.0
CZ L:ARG411 4.8 80.4 1.0
CD C:LYS42 4.9 77.1 1.0
OD2 D:ASP94 5.0 59.3 1.0

Magnesium binding site 4 out of 10 in 7egr

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Magnesium binding site 4 out of 10 in the Co-Crystal Structure of Ac-Achbpp in Complex with Rgia


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Co-Crystal Structure of Ac-Achbpp in Complex with Rgia within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg301

b:40.0
occ:1.00
 OH M:TYR410 2.0 56.9 1.0
OE2 D:GLU170 3.0 56.6 1.0
OE2 D:GLU210 3.0 121.2 1.0
CZ M:TYR410 3.3 75.0 1.0
OG D:SER167 3.6 51.4 1.0
CD D:GLU210 3.9 116.9 1.0
CD D:GLU170 4.0 53.3 1.0
CE1 M:TYR410 4.0 81.9 1.0
NH2 E:ARG96 4.0 51.0 1.0
NH2 M:ARG411 4.1 110.2 1.0
CB D:SER167 4.2 49.0 1.0
NE M:ARG411 4.2 113.4 1.0
OE1 D:GLU170 4.2 50.2 1.0
CE2 M:TYR410 4.4 75.3 1.0
OE1 D:GLU210 4.6 118.9 1.0
CZ M:ARG411 4.6 110.0 1.0
NH1 E:ARG96 4.6 45.1 1.0
CD2 D:PHE169 4.7 58.8 1.0
CB D:PHE169 4.8 51.1 1.0
CG D:GLU210 4.8 105.7 1.0
CZ E:ARG96 4.8 42.9 1.0
CB D:GLU210 4.8 97.4 1.0

Magnesium binding site 5 out of 10 in 7egr

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Magnesium binding site 5 out of 10 in the Co-Crystal Structure of Ac-Achbpp in Complex with Rgia


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Co-Crystal Structure of Ac-Achbpp in Complex with Rgia within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg301

b:30.6
occ:1.00
 NZ E:LYS42 3.1 74.7 1.0
OE2 E:GLU170 3.5 43.8 1.0
NH2 A:ARG96 3.5 46.6 1.0
NH1 A:ARG96 3.7 39.9 1.0
OD2 A:ASP94 3.7 49.6 1.0
CZ A:ARG96 4.1 40.9 1.0
OG E:SER167 4.1 51.8 1.0
CB E:SER167 4.3 45.7 1.0
CD E:GLU170 4.3 44.2 1.0
OE1 E:GLU170 4.3 47.4 1.0
CE E:LYS42 4.3 77.2 1.0
CG E:GLU210 4.5 93.7 1.0
CD E:GLU210 4.6 98.3 1.0
CG A:ASP94 4.7 44.5 1.0
CD E:LYS42 4.7 69.8 1.0
OD1 A:ASP94 4.8 47.3 1.0
OE1 E:GLU210 4.9 99.5 1.0
CB E:GLU210 4.9 88.2 1.0
OE2 E:GLU210 4.9 95.3 1.0

Magnesium binding site 6 out of 10 in 7egr

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Magnesium binding site 6 out of 10 in the Co-Crystal Structure of Ac-Achbpp in Complex with Rgia


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Co-Crystal Structure of Ac-Achbpp in Complex with Rgia within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mg301

b:43.7
occ:1.00
 OH P:TYR410 1.9 55.1 1.0
NZ H:LYS42 2.8 72.3 1.0
OE2 H:GLU170 2.8 62.4 1.0
CZ P:TYR410 3.1 69.4 1.0
OE2 H:GLU210 3.2 125.4 1.0
OG H:SER167 3.6 46.5 1.0
CE1 P:TYR410 3.6 77.8 1.0
CD H:GLU170 3.8 57.9 1.0
NH2 G:ARG96 3.8 38.9 1.0
CE H:LYS42 3.9 76.5 1.0
OE1 H:GLU170 3.9 60.8 1.0
CD H:GLU210 4.0 117.0 1.0
NH1 G:ARG96 4.0 47.0 1.0
CD H:LYS42 4.1 78.7 1.0
CB H:SER167 4.2 46.9 1.0
NH1 P:ARG411 4.3 91.0 1.0
CE2 P:TYR410 4.3 68.5 1.0
CZ G:ARG96 4.4 44.6 1.0
CG H:GLU210 4.4 109.4 1.0
CG H:LYS42 4.7 74.0 1.0
CD2 H:PHE169 4.7 64.0 1.0
CB H:PHE169 4.8 57.4 1.0
OD2 G:ASP94 4.8 69.1 1.0
OE1 H:GLU210 4.9 113.8 1.0

Magnesium binding site 7 out of 10 in 7egr

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Magnesium binding site 7 out of 10 in the Co-Crystal Structure of Ac-Achbpp in Complex with Rgia


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Co-Crystal Structure of Ac-Achbpp in Complex with Rgia within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mg301

b:56.0
occ:1.00
 OE1 J:GLU210 2.7 115.6 1.0
OE2 J:GLU170 2.8 77.0 1.0
OH Q:TYR410 2.8 73.3 1.0
NH2 I:ARG96 3.8 56.1 1.0
CD J:GLU170 3.8 70.5 1.0
CZ Q:TYR410 3.8 75.5 1.0
CD J:GLU210 3.8 113.6 1.0
CE1 Q:TYR410 3.9 72.0 1.0
OG J:SER167 3.9 51.8 1.0
OE1 J:GLU170 4.0 77.0 1.0
CB J:SER167 4.1 50.2 1.0
CE J:LYS42 4.2 81.0 1.0
CG J:GLU210 4.3 103.6 1.0
NH1 I:ARG96 4.4 65.0 1.0
CZ I:ARG96 4.5 56.9 1.0
NH2 Q:ARG411 4.6 98.7 1.0
CD J:LYS42 4.7 82.5 1.0
NE Q:ARG411 4.7 92.2 1.0
OE2 J:GLU210 4.8 116.0 1.0
CG J:LYS42 4.9 84.9 1.0

Magnesium binding site 8 out of 10 in 7egr

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Magnesium binding site 8 out of 10 in the Co-Crystal Structure of Ac-Achbpp in Complex with Rgia


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Co-Crystal Structure of Ac-Achbpp in Complex with Rgia within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Mg501

b:58.9
occ:1.00
 OH N:TYR410 1.7 73.5 1.0
OE2 F:GLU170 2.9 47.7 1.0
CZ N:TYR410 2.9 84.7 1.0
OG F:SER167 3.1 78.9 1.0
CE1 N:TYR410 3.6 91.7 1.0
NH2 J:ARG96 3.6 61.5 1.0
CD F:GLU170 3.8 45.7 1.0
OE1 F:GLU170 3.9 46.1 1.0
CE2 N:TYR410 3.9 88.4 1.0
CB F:SER167 3.9 59.6 1.0
CG F:GLU210 4.0 122.4 1.0
CD F:GLU210 4.4 130.0 1.0
OE2 F:GLU210 4.5 126.6 1.0
CB F:PHE169 4.6 54.5 1.0
CZ J:ARG96 4.7 52.7 1.0
CB F:GLU210 4.7 111.0 1.0
CD2 F:PHE169 4.9 64.3 1.0
NH1 J:ARG96 4.9 50.1 1.0
CD1 N:TYR410 4.9 89.6 1.0

Magnesium binding site 9 out of 10 in 7egr

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Magnesium binding site 9 out of 10 in the Co-Crystal Structure of Ac-Achbpp in Complex with Rgia


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Co-Crystal Structure of Ac-Achbpp in Complex with Rgia within 5.0Å range:
probe atom residue distance (Å) B Occ
O:Mg501

b:39.9
occ:1.00
 OH O:TYR410 2.5 74.8 1.0
OE2 G:GLU170 3.1 67.1 1.0
NH1 O:ARG411 3.2 119.8 1.0
NH2 F:ARG96 3.6 68.8 1.0
CZ O:TYR410 3.6 77.8 1.0
CE G:LYS42 3.7 88.7 1.0
OG G:SER167 3.7 40.6 1.0
NZ G:LYS42 3.7 89.7 1.0
CE2 O:TYR410 3.8 82.2 1.0
CB G:SER167 4.1 37.8 1.0
CD G:GLU170 4.1 65.9 1.0
OE2 G:GLU210 4.3 109.0 1.0
OE1 G:GLU170 4.3 70.9 1.0
CZ O:ARG411 4.4 118.8 1.0
CD O:ARG411 4.6 106.3 1.0
CD G:GLU210 4.6 105.1 1.0
CZ F:ARG96 4.7 67.0 1.0
CG G:GLU210 4.8 101.3 1.0
OD1 F:ASP94 4.9 62.3 1.0
CE1 O:TYR410 4.9 73.4 1.0
CD G:LYS42 4.9 80.5 1.0
NH1 F:ARG96 4.9 65.5 1.0
NE O:ARG411 5.0 115.6 1.0

Magnesium binding site 10 out of 10 in 7egr

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Magnesium binding site 10 out of 10 in the Co-Crystal Structure of Ac-Achbpp in Complex with Rgia


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Co-Crystal Structure of Ac-Achbpp in Complex with Rgia within 5.0Å range:
probe atom residue distance (Å) B Occ
R:Mg501

b:55.5
occ:1.00
 OH R:TYR410 1.7 71.5 1.0
OE2 I:GLU170 2.9 46.4 1.0
OE2 I:GLU210 3.0 116.2 1.0
CZ R:TYR410 3.1 89.2 1.0
OG I:SER167 3.4 48.4 1.0
CD I:GLU170 3.9 50.7 1.0
CE1 R:TYR410 3.9 99.4 1.0
CE2 R:TYR410 4.0 90.6 1.0
OE1 I:GLU170 4.2 49.3 1.0
CB I:SER167 4.2 47.0 1.0
NH2 R:ARG411 4.2 118.6 1.0
CD I:GLU210 4.3 110.4 1.0
NH2 H:ARG96 4.3 38.3 1.0
CD2 I:PHE169 4.4 57.4 1.0
CB I:PHE169 4.4 49.6 1.0
NH1 H:ARG96 4.6 28.2 1.0
NE R:ARG411 4.6 117.1 1.0
CB I:GLU210 4.7 91.5 1.0
CZ R:ARG411 4.9 118.0 1.0
CG I:PHE169 4.9 54.9 1.0
CZ H:ARG96 5.0 38.7 1.0

Reference:

X.Q.Wang, S.Pan, Y.X.Fan, Y.Xue, X.P.Zhu, S.L.Luo. Co-Crystal Structure of Ac-Achbpp in Complex with Rgia To Be Published.
Page generated: Wed Oct 2 20:42:08 2024

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