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Magnesium in PDB 9irp: Structure of Clpp From Staphylococcus Aureus in Complex with ZG297

Enzymatic activity of Structure of Clpp From Staphylococcus Aureus in Complex with ZG297

All present enzymatic activity of Structure of Clpp From Staphylococcus Aureus in Complex with ZG297:
3.4.21.92;

Protein crystallography data

The structure of Structure of Clpp From Staphylococcus Aureus in Complex with ZG297, PDB code: 9irp was solved by B.Y.Wei, P.Y.Wang, T.Zhang, C.-G.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.86 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 94.581, 190.32, 96.401, 90, 117.8, 90
R / Rfree (%) 17.3 / 20.8

Other elements in 9irp:

The structure of Structure of Clpp From Staphylococcus Aureus in Complex with ZG297 also contains other interesting chemical elements:

Fluorine (F) 42 atoms

Magnesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Magnesium atom in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG297 (pdb code 9irp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 12 binding sites of Magnesium where determined in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG297, PDB code: 9irp:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 12 in 9irp

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Magnesium binding site 1 out of 12 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG297


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Clpp From Staphylococcus Aureus in Complex with ZG297 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg302

b:27.5
occ:1.00
 O A:ILE81 2.6 16.5 1.0
O A:HOH518 2.6 15.8 1.0
O A:PRO86 2.7 16.9 1.0
O A:ILE84 3.3 20.6 1.0
C A:ILE81 3.7 16.9 1.0
CG1 A:ILE84 3.8 18.4 1.0
C A:PRO86 3.8 17.5 1.0
O A:HOH494 4.0 20.3 1.0
CG2 A:VAL88 4.0 13.8 1.0
C A:ILE84 4.1 22.3 1.0
CG2 A:ILE81 4.2 15.3 1.0
N A:VAL88 4.2 14.7 1.0
CA A:ASP87 4.3 16.0 1.0
O A:LYS85 4.4 23.0 1.0
N A:ASP87 4.5 16.4 1.0
C A:LYS85 4.6 18.5 1.0
CA A:ILE81 4.6 17.7 1.0
O A:HOH434 4.6 20.2 1.0
C A:ASP87 4.6 16.0 1.0
CA A:GLN82 4.6 17.1 1.0
CD1 A:ILE84 4.6 18.1 1.0
N A:GLN82 4.6 15.3 1.0
N A:ILE84 4.7 18.4 1.0
CB A:VAL88 4.7 14.6 1.0
C A:GLN82 4.8 19.7 1.0
O A:GLN82 4.8 20.8 1.0
N A:PRO86 4.8 21.5 1.0
CA A:ILE84 4.8 20.4 1.0
CA A:PRO86 4.9 20.7 1.0
CB A:ILE84 4.9 19.7 1.0

Magnesium binding site 2 out of 12 in 9irp

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Magnesium binding site 2 out of 12 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG297


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Clpp From Staphylococcus Aureus in Complex with ZG297 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg302

b:29.3
occ:1.00
 O C:HOH484 2.6 20.6 1.0
O C:PRO86 2.6 19.8 1.0
O C:ILE81 2.7 15.7 1.0
O C:HOH500 3.3 36.2 1.0
O C:ILE84 3.4 23.8 1.0
O C:HOH451 3.7 37.0 1.0
C C:ILE81 3.8 18.7 1.0
C C:PRO86 3.8 21.4 1.0
CG2 C:VAL88 3.9 22.5 1.0
N C:VAL88 4.0 19.5 1.0
CG1 C:ILE84 4.0 18.6 1.0
CG2 C:ILE81 4.1 18.4 1.0
CA C:ASP87 4.2 21.5 1.0
C C:ILE84 4.3 21.3 1.0
C C:ASP87 4.4 22.5 1.0
N C:ASP87 4.4 20.4 1.0
O C:HOH471 4.4 21.1 1.0
CB C:VAL88 4.5 15.8 1.0
CA C:ILE81 4.6 15.6 1.0
O C:LYS85 4.7 23.3 1.0
N C:GLN82 4.7 18.2 1.0
CA C:GLN82 4.7 20.9 1.0
C C:LYS85 4.7 22.7 1.0
N C:PRO86 4.8 24.1 1.0
CD1 C:ILE84 4.8 19.2 1.0
C C:GLN82 4.9 19.6 1.0
O C:GLN82 4.9 19.8 1.0
CA C:VAL88 4.9 16.5 1.0
CA C:PRO86 4.9 22.9 1.0
N C:ILE84 4.9 20.0 1.0

Magnesium binding site 3 out of 12 in 9irp

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Magnesium binding site 3 out of 12 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG297


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Clpp From Staphylococcus Aureus in Complex with ZG297 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg302

b:22.8
occ:1.00
 O D:HOH512 2.7 17.4 1.0
O D:PRO86 2.7 17.7 1.0
O D:HOH467 2.7 31.4 1.0
O D:ILE81 2.8 14.6 1.0
O D:HOH499 3.1 27.1 1.0
O D:ILE84 3.2 15.6 1.0
O D:HOH419 3.7 25.6 1.0
C D:PRO86 3.8 18.5 1.0
C D:ILE81 3.9 13.7 1.0
CG1 D:ILE84 4.1 16.4 1.0
C D:ILE84 4.2 16.0 1.0
N D:VAL88 4.2 14.8 1.0
CA D:ASP87 4.3 18.0 1.0
CG2 D:VAL88 4.3 11.7 1.0
CG2 D:ILE81 4.4 10.5 1.0
N D:ASP87 4.4 17.7 1.0
O D:LYS85 4.5 18.5 1.0
O D:HOH436 4.5 15.5 1.0
C D:ASP87 4.6 15.9 1.0
C D:LYS85 4.6 17.0 1.0
O D:GLN82 4.6 19.7 1.0
CA D:GLN82 4.6 15.2 1.0
C D:GLN82 4.7 16.0 1.0
N D:GLN82 4.8 15.4 1.0
N D:PRO86 4.8 15.3 1.0
CA D:ILE81 4.8 10.0 1.0
N D:ILE84 4.9 15.4 1.0
CB D:VAL88 4.9 13.1 1.0
CA D:PRO86 4.9 18.2 1.0
CA D:ILE84 5.0 14.9 1.0
CD1 D:ILE84 5.0 15.4 1.0

Magnesium binding site 4 out of 12 in 9irp

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Magnesium binding site 4 out of 12 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG297


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of Clpp From Staphylococcus Aureus in Complex with ZG297 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg302

b:24.0
occ:1.00
 O E:HOH518 2.6 14.6 1.0
O E:ILE81 2.7 14.8 1.0
O E:PRO86 2.7 18.9 1.0
O E:HOH492 2.8 23.6 1.0
O E:ILE84 3.4 14.0 1.0
O E:HOH481 3.6 29.1 1.0
O E:HOH448 3.8 22.3 1.0
C E:ILE81 3.8 14.4 1.0
C E:PRO86 3.8 17.4 1.0
CG1 E:ILE84 3.9 16.2 1.0
CG2 E:VAL88 4.1 12.7 1.0
CG2 E:ILE81 4.2 10.4 1.0
N E:VAL88 4.2 12.5 1.0
C E:ILE84 4.3 15.6 1.0
CA E:ASP87 4.3 15.1 1.0
O E:LYS85 4.4 17.4 1.0
N E:ASP87 4.5 15.3 1.0
O E:HOH449 4.5 17.7 1.0
C E:ASP87 4.5 14.9 1.0
C E:LYS85 4.6 16.7 1.0
CA E:ILE81 4.6 12.2 1.0
CD1 E:ILE84 4.6 11.6 1.0
CA E:GLN82 4.7 16.3 1.0
N E:GLN82 4.7 11.0 1.0
CB E:VAL88 4.7 13.3 1.0
N E:PRO86 4.8 16.9 1.0
O E:GLN82 4.8 14.5 1.0
C E:GLN82 4.9 16.7 1.0
N E:ILE84 4.9 12.8 1.0
CA E:PRO86 4.9 17.0 1.0
CA E:ILE84 5.0 12.9 1.0

Magnesium binding site 5 out of 12 in 9irp

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Magnesium binding site 5 out of 12 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG297


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Structure of Clpp From Staphylococcus Aureus in Complex with ZG297 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg302

b:21.6
occ:1.00
 O F:HOH510 2.6 15.4 1.0
O F:PRO86 2.6 15.2 1.0
O F:HOH494 2.7 28.9 1.0
O F:ILE81 2.7 16.3 1.0
O F:ILE84 3.2 12.9 1.0
O F:HOH433 3.6 23.9 1.0
C F:PRO86 3.8 14.8 1.0
C F:ILE81 3.8 16.4 1.0
CG1 F:ILE84 4.0 11.4 1.0
CG2 F:VAL88 4.1 10.5 1.0
C F:ILE84 4.2 17.1 1.0
N F:VAL88 4.2 12.4 1.0
CA F:ASP87 4.3 12.8 1.0
CG2 F:ILE81 4.3 12.8 1.0
N F:ASP87 4.4 13.0 1.0
O F:LYS85 4.5 14.0 1.0
C F:ASP87 4.5 12.3 1.0
C F:LYS85 4.6 16.6 1.0
CA F:GLN82 4.6 15.5 1.0
O F:HOH448 4.6 15.9 1.0
N F:GLN82 4.7 13.3 1.0
O F:GLN82 4.7 17.8 1.0
CA F:ILE81 4.7 13.4 1.0
N F:PRO86 4.7 12.6 1.0
C F:GLN82 4.8 16.4 1.0
CB F:VAL88 4.8 14.1 1.0
CD1 F:ILE84 4.8 12.2 1.0
N F:ILE84 4.9 15.6 1.0
CA F:PRO86 4.9 12.7 1.0
CA F:ILE84 4.9 14.3 1.0
N F:LYS85 5.0 15.8 1.0

Magnesium binding site 6 out of 12 in 9irp

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Magnesium binding site 6 out of 12 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG297


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Structure of Clpp From Staphylococcus Aureus in Complex with ZG297 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mg302

b:23.8
occ:1.00
 O G:ILE81 2.7 13.6 1.0
O G:HOH519 2.8 14.2 1.0
O G:PRO86 2.8 18.5 1.0
O A:HOH480 2.9 31.5 1.0
O G:ILE84 3.0 16.5 1.0
O G:HOH516 3.7 27.1 1.0
NZ A:LYS195 3.7 36.2 1.0
C G:ILE81 3.8 16.0 1.0
C G:PRO86 3.9 17.1 1.0
CG1 G:ILE84 4.1 13.6 1.0
C G:ILE84 4.1 17.7 1.0
CA G:ASP87 4.3 14.4 1.0
N G:VAL88 4.4 13.7 1.0
O G:LYS85 4.4 20.0 1.0
CG2 G:VAL88 4.4 9.5 1.0
CG2 G:ILE81 4.5 9.5 1.0
N G:ASP87 4.5 14.2 1.0
CA G:GLN82 4.5 14.6 1.0
O G:HOH458 4.5 14.5 1.0
O G:GLN82 4.5 15.3 1.0
C G:LYS85 4.6 19.1 1.0
C G:GLN82 4.6 14.1 1.0
N G:GLN82 4.6 14.9 1.0
C G:ASP87 4.7 14.8 1.0
N G:ILE84 4.7 15.5 1.0
CA G:ILE81 4.8 12.7 1.0
N G:PRO86 4.8 17.9 1.0
CA G:ILE84 4.8 12.9 1.0
N G:LYS85 5.0 15.2 1.0
CD1 G:ILE84 5.0 14.2 1.0
CA G:PRO86 5.0 17.6 1.0

Magnesium binding site 7 out of 12 in 9irp

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Magnesium binding site 7 out of 12 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG297


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Structure of Clpp From Staphylococcus Aureus in Complex with ZG297 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mg302

b:28.1
occ:1.00
 O H:PRO86 2.6 27.4 1.0
O H:HOH442 2.7 37.0 1.0
O H:HOH462 2.7 26.6 1.0
O H:ILE81 2.8 24.1 1.0
O H:ILE84 3.3 26.3 1.0
C H:PRO86 3.8 28.5 1.0
C H:ILE81 3.9 23.4 1.0
CG1 H:ILE84 4.1 25.5 1.0
O H:LYS85 4.2 28.2 1.0
CG2 H:VAL88 4.2 24.0 1.0
C H:ILE84 4.2 26.2 1.0
N H:VAL88 4.2 26.2 1.0
CA H:ASP87 4.3 27.9 1.0
CG2 H:ILE81 4.4 23.5 1.0
C H:LYS85 4.4 27.4 1.0
N H:ASP87 4.4 27.9 1.0
O H:HOH436 4.5 28.6 1.0
C H:ASP87 4.6 26.8 1.0
CA H:GLN82 4.6 26.7 1.0
O H:GLN82 4.7 25.3 1.0
N H:PRO86 4.7 27.5 1.0
N H:GLN82 4.8 23.4 1.0
CB H:VAL88 4.8 24.3 1.0
C H:GLN82 4.8 24.9 1.0
CA H:ILE81 4.8 22.4 1.0
CD1 H:ILE84 4.9 23.6 1.0
CA H:PRO86 4.9 27.9 1.0
N H:ILE84 4.9 24.7 1.0
CA H:ILE84 5.0 25.5 1.0
N H:LYS85 5.0 26.7 1.0

Magnesium binding site 8 out of 12 in 9irp

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Magnesium binding site 8 out of 12 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG297


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Structure of Clpp From Staphylococcus Aureus in Complex with ZG297 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mg302

b:26.5
occ:1.00
 O I:HOH514 2.6 18.1 1.0
O I:ILE81 2.7 20.4 1.0
O I:PRO86 2.7 19.6 1.0
O I:HOH497 2.7 27.9 1.0
O I:ILE84 3.4 22.3 1.0
C I:ILE81 3.8 20.4 1.0
O I:HOH440 3.8 28.0 1.0
C I:PRO86 3.9 19.9 1.0
CG1 I:ILE84 4.0 16.5 1.0
CG2 I:ILE81 4.1 17.8 1.0
CG2 I:VAL88 4.1 15.2 1.0
N I:VAL88 4.1 16.8 1.0
CA I:ASP87 4.2 20.7 1.0
C I:ILE84 4.3 21.2 1.0
O I:HOH466 4.4 19.9 1.0
N I:ASP87 4.5 20.4 1.0
C I:ASP87 4.5 20.0 1.0
O I:LYS85 4.6 21.1 1.0
CA I:GLN82 4.6 21.0 1.0
CA I:ILE81 4.6 16.9 1.0
N I:GLN82 4.6 20.2 1.0
C I:LYS85 4.7 20.4 1.0
CB I:VAL88 4.7 16.5 1.0
CD1 I:ILE84 4.8 15.2 1.0
O I:GLN82 4.8 20.8 1.0
C I:GLN82 4.8 18.7 1.0
N I:PRO86 4.9 17.6 1.0
N I:ILE84 4.9 19.9 1.0
OE1 I:GLN82 4.9 28.0 1.0

Magnesium binding site 9 out of 12 in 9irp

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Magnesium binding site 9 out of 12 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG297


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Structure of Clpp From Staphylococcus Aureus in Complex with ZG297 within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mg302

b:25.1
occ:1.00
 O J:HOH501 2.7 17.6 1.0
O J:HOH416 2.7 28.5 1.0
O J:PRO86 2.7 21.0 1.0
O J:ILE81 2.7 16.0 1.0
O J:HOH517 2.9 35.6 1.0
O J:ILE84 3.3 23.7 1.0
C J:ILE81 3.8 16.3 1.0
C J:PRO86 3.8 20.9 1.0
O J:HOH457 3.8 25.3 1.0
CG1 J:ILE84 4.0 16.1 1.0
CG2 J:ILE81 4.2 11.5 1.0
N J:VAL88 4.2 15.0 1.0
CG2 J:VAL88 4.2 16.5 1.0
C J:ILE84 4.2 21.7 1.0
CA J:ASP87 4.3 18.4 1.0
O J:LYS85 4.4 20.1 1.0
O J:HOH455 4.4 20.5 1.0
N J:ASP87 4.5 17.5 1.0
C J:LYS85 4.5 20.7 1.0
CA J:GLN82 4.5 14.6 1.0
C J:ASP87 4.5 17.5 1.0
N J:GLN82 4.6 13.5 1.0
O J:GLN82 4.6 15.6 1.0
CA J:ILE81 4.7 14.6 1.0
C J:GLN82 4.7 15.0 1.0
N J:PRO86 4.8 21.4 1.0
CB J:VAL88 4.8 16.8 1.0
CD1 J:ILE84 4.8 16.1 1.0
N J:ILE84 4.9 20.5 1.0
CA J:PRO86 4.9 20.1 1.0
CA J:ILE84 5.0 17.6 1.0

Magnesium binding site 10 out of 12 in 9irp

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Magnesium binding site 10 out of 12 in the Structure of Clpp From Staphylococcus Aureus in Complex with ZG297


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Structure of Clpp From Staphylococcus Aureus in Complex with ZG297 within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Mg302

b:26.6
occ:1.00
 O L:HOH468 2.3 29.2 1.0
O K:ILE81 2.7 18.3 1.0
O K:PRO86 2.7 17.4 1.0
O K:HOH504 2.9 15.0 1.0
O K:ILE84 3.2 20.3 1.0
C K:ILE81 3.8 17.9 1.0
O K:HOH449 3.8 27.5 1.0
C K:PRO86 3.8 18.1 1.0
CG1 K:ILE84 4.0 14.4 1.0
C K:ILE84 4.1 20.7 1.0
CA K:ASP87 4.3 19.6 1.0
N K:VAL88 4.4 15.7 1.0
N K:ASP87 4.4 16.0 1.0
CG2 K:ILE81 4.5 12.7 1.0
CA K:GLN82 4.5 15.9 1.0
NZ L:LYS195 4.5 40.7 1.0
O K:GLN82 4.5 18.8 1.0
CG2 K:VAL88 4.5 13.2 1.0
O K:LYS85 4.5 19.2 1.0
O K:HOH510 4.5 25.5 1.0
C K:GLN82 4.6 16.1 1.0
N K:GLN82 4.6 13.7 1.0
C K:LYS85 4.6 19.2 1.0
C K:ASP87 4.6 19.5 1.0
N K:ILE84 4.7 15.0 1.0
O K:HOH434 4.7 15.8 1.0
CA K:ILE81 4.7 12.7 1.0
N K:PRO86 4.8 19.4 1.0
CA K:ILE84 4.8 15.3 1.0
CD1 K:ILE84 4.8 16.3 1.0
CA K:PRO86 5.0 19.0 1.0

Reference:

B.Y.Wei, P.Y.Wang, T.Zhang, C.-G.Yang. Structure of Clpp From Staphylococcus Aureus in Complex with ZG297 To Be Published.
Page generated: Thu Oct 31 22:33:35 2024

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