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Magnesium in PDB 4hzc: Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19

Protein crystallography data

The structure of Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19, PDB code: 4hzc was solved by S.Kumar, G.Samudrala, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.97
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.697, 256.774, 82.285, 90.00, 91.20, 90.00
R / Rfree (%) 18.7 / 23.9

Other elements in 4hzc:

The structure of Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19 (pdb code 4hzc). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 9 binding sites of Magnesium where determined in the Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19, PDB code: 4hzc:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Magnesium binding site 1 out of 9 in 4hzc

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Magnesium binding site 1 out of 9 in the Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg302

b:33.8
occ:1.00
 O A:HOH447 2.5 26.4 1.0
O A:HOH523 2.7 39.7 1.0
OD2 F:ASP153 2.7 23.4 1.0
OH A:TYR105 3.1 46.9 1.0
CG F:ASP153 3.5 22.0 1.0
OD1 F:ASP153 3.6 20.2 1.0
NE2 F:GLN143 3.7 22.5 1.0
CD2 A:LEU115 3.7 20.2 1.0
O F:HOH411 3.8 20.6 1.0
O A:HOH427 4.0 19.8 1.0
CZ A:TYR105 4.0 37.3 1.0
O A:HOH525 4.1 41.9 1.0
ND1 A:HIS168 4.2 28.4 1.0
CE2 A:TYR105 4.2 36.8 1.0
CD F:GLN143 4.2 21.0 1.0
O A:HOH459 4.6 39.9 1.0
O F:HOH415 4.6 19.8 1.0
O A:HOH463 4.7 43.7 1.0
O A:HOH432 4.7 33.4 1.0
OE1 F:GLN143 4.7 21.4 1.0
O F:HOH461 4.8 32.8 1.0
CE1 A:HIS168 4.8 24.6 1.0
CA A:HIS168 4.8 22.8 1.0
CG F:GLN143 4.9 18.1 1.0
CG A:LEU115 4.9 20.1 1.0
N A:HIS168 5.0 22.5 1.0
CB F:ASP153 5.0 19.8 1.0

Magnesium binding site 2 out of 9 in 4hzc

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Magnesium binding site 2 out of 9 in the Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg301

b:40.9
occ:1.00
 O C:HOH517 2.5 37.2 1.0
O C:HOH501 2.6 57.4 1.0
O3 C:TRS302 2.8 45.1 1.0
O C:HOH444 3.0 33.0 1.0
C3 C:TRS302 3.3 34.3 1.0
CB D:PRO66 3.6 30.2 1.0
CB C:SER69 3.7 22.5 1.0
OD2 C:ASP71 4.1 27.9 1.0
O C:HOH502 4.1 47.0 1.0
CG D:PRO66 4.2 30.6 1.0
O F:HOH455 4.3 35.0 1.0
O C:HOH464 4.3 40.8 1.0
O F:HOH426 4.4 38.1 1.0
CA C:SER69 4.4 22.7 1.0
O C:HOH518 4.7 40.4 1.0
CA D:PRO66 4.7 28.4 1.0
C C:TRS302 4.7 32.5 1.0
OG C:SER69 4.8 23.1 1.0
OE1 F:GLU61 4.9 30.6 1.0
N C:ALA70 4.9 18.0 1.0

Magnesium binding site 3 out of 9 in 4hzc

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Magnesium binding site 3 out of 9 in the Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg303

b:44.3
occ:1.00
 O B:HOH303 2.4 34.6 1.0
OE1 A:GLU61 2.6 29.5 1.0
OD1 F:ASP67 2.6 25.3 1.0
O A:HOH450 3.2 32.0 1.0
CG F:ASP67 3.4 27.6 1.0
CD A:GLU61 3.5 25.2 1.0
N F:ASP67 3.5 22.1 1.0
CB F:PRO66 3.6 23.8 1.0
C F:PRO66 3.6 25.0 1.0
CA F:ASP67 3.7 25.4 1.0
CG A:GLU61 3.8 20.5 1.0
O F:PRO66 3.8 26.2 1.0
O B:HOH399 3.9 38.4 1.0
CB A:GLU61 4.0 16.9 1.0
OD2 F:ASP67 4.1 28.0 1.0
CB F:ASP67 4.2 28.8 1.0
CA F:PRO66 4.2 25.9 1.0
CE1 F:HIS65 4.5 23.4 1.0
OE2 A:GLU61 4.6 22.6 1.0
O A:HOH489 4.6 44.9 1.0
ND1 F:HIS65 4.6 20.0 1.0
CG F:PRO66 4.8 30.0 1.0
OD2 B:ASP71 4.8 22.4 1.0
O A:HOH407 4.8 21.1 1.0

Magnesium binding site 4 out of 9 in 4hzc

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Magnesium binding site 4 out of 9 in the Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg301

b:50.0
occ:1.00
 OE1 D:GLU61 3.1 37.9 1.0
O D:HOH439 3.5 31.6 1.0
C3 D:TRS302 3.6 37.4 1.0
N D:TRS302 3.9 34.8 1.0
CD D:GLU61 4.0 30.5 1.0
CB D:ALA70 4.0 24.4 1.0
O D:HOH440 4.1 37.5 1.0
CB A:PRO66 4.1 24.1 1.0
CG A:PRO66 4.1 26.1 1.0
O D:HOH508 4.1 44.8 1.0
C D:TRS302 4.2 31.8 1.0
OE2 D:GLU61 4.3 26.6 1.0
C2 D:TRS302 4.4 38.5 1.0
O3 D:TRS302 4.5 36.4 1.0
O D:GLU61 4.6 21.3 1.0
O D:HOH401 4.8 40.7 1.0
CA D:GLU61 4.8 19.6 1.0
O D:HOH507 4.9 46.1 1.0
O2 D:TRS302 4.9 25.9 1.0

Magnesium binding site 5 out of 9 in 4hzc

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Magnesium binding site 5 out of 9 in the Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg301

b:40.3
occ:1.00
 OE2 F:GLU61 2.6 30.4 1.0
NH1 F:ARG74 3.1 25.9 1.0
ND1 F:HIS57 3.1 25.7 1.0
CD F:ARG74 3.4 28.4 1.0
CE1 F:HIS57 3.4 28.1 1.0
O F:HIS57 3.4 23.3 1.0
CD F:GLU61 3.5 26.2 1.0
CB F:ALA60 3.5 24.6 1.0
CG F:HIS57 3.6 27.6 1.0
CG F:GLU61 3.7 25.6 1.0
CB F:ARG74 3.8 24.4 1.0
N C:TRS302 3.8 23.1 1.0
CA F:HIS57 3.9 26.5 1.0
CG F:ARG74 3.9 28.9 1.0
NE2 F:HIS57 4.0 25.4 1.0
CZ F:ARG74 4.0 31.4 1.0
C F:HIS57 4.1 25.9 1.0
NE F:ARG74 4.1 30.6 1.0
CD2 F:HIS57 4.2 26.4 1.0
CB F:HIS57 4.2 26.5 1.0
N F:GLU61 4.2 20.4 1.0
CB F:ALA70 4.2 18.9 1.0
OD1 C:ASP71 4.3 25.5 1.0
O F:ALA70 4.4 20.3 1.0
C F:ALA60 4.5 20.4 1.0
CA F:ALA60 4.6 22.7 1.0
OE1 F:GLU61 4.6 30.6 1.0
C F:ALA70 4.7 23.1 1.0
CA F:GLU61 4.8 22.2 1.0
CB F:GLU61 4.8 22.1 1.0

Magnesium binding site 6 out of 9 in 4hzc

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Magnesium binding site 6 out of 9 in the Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mg302

b:49.4
occ:1.00
 O L:HOH348 2.4 42.5 1.0
O G:HOH426 2.8 36.9 1.0
O K:HOH442 3.0 35.7 1.0
O K:HOH445 3.4 33.2 1.0
CB G:SER69 3.4 29.8 1.0
O L:PRO66 3.6 34.8 1.0
OD2 G:ASP71 3.6 29.9 1.0
O3 K:TRS302 3.6 43.6 1.0
CB L:PRO66 3.8 34.8 1.0
OG G:SER69 3.9 29.4 1.0
OE1 K:GLU61 3.9 36.0 1.0
C L:PRO66 4.0 33.3 1.0
C3 K:TRS302 4.4 29.4 1.0
O G:HOH444 4.5 58.1 1.0
CA L:PRO66 4.5 35.6 1.0
CG G:ASP71 4.6 26.4 1.0
N L:ASP67 4.7 30.8 1.0
CD K:GLU61 4.7 32.7 1.0
OD1 L:ASP67 4.7 32.9 1.0
O L:HOH342 4.8 43.7 1.0
CA G:SER69 4.8 26.0 1.0
CA L:ASP67 4.9 32.1 1.0
CB G:ASP71 5.0 25.0 1.0

Magnesium binding site 7 out of 9 in 4hzc

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Magnesium binding site 7 out of 9 in the Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19 within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mg302

b:52.7
occ:1.00
 O I:HOH441 2.6 40.0 1.0
O H:HOH388 2.9 40.2 1.0
CE1 J:HIS57 3.3 33.3 1.0
OE1 J:GLU61 3.4 39.0 1.0
O I:HOH482 3.5 41.4 1.0
CG J:GLU61 3.6 34.7 1.0
CD J:GLU61 3.6 34.3 1.0
NE2 J:HIS57 3.8 37.0 1.0
OD2 I:ASP71 3.9 35.5 1.0
OD1 H:ASP67 3.9 42.4 1.0
CG I:ASP71 4.0 32.5 1.0
CB J:ALA43 4.1 31.6 1.0
CB I:ASP71 4.2 35.7 1.0
O J:HOH417 4.2 33.5 1.0
OE2 J:GLU61 4.4 35.6 1.0
ND1 J:HIS57 4.4 34.4 1.0
OD1 I:ASP71 4.5 30.6 1.0
CB J:GLU61 4.7 27.0 1.0
O I:HOH404 4.8 57.3 1.0
OG I:SER69 4.8 29.5 1.0
OG1 J:THR44 4.9 32.8 1.0

Magnesium binding site 8 out of 9 in 4hzc

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Magnesium binding site 8 out of 9 in the Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19 within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mg303

b:59.5
occ:1.00
 OE2 J:GLU61 2.5 35.6 1.0
NH1 J:ARG74 2.7 25.9 1.0
CD2 J:HIS57 3.3 33.4 1.0
CD J:GLU61 3.5 34.3 1.0
CD J:ARG74 3.5 35.6 1.0
O3 I:TRS301 3.6 34.8 1.0
CB J:ALA60 3.6 33.6 1.0
NE2 J:HIS57 3.6 37.0 1.0
CB J:ARG74 3.7 28.6 1.0
CZ J:ARG74 3.8 35.0 1.0
O J:HIS57 3.8 26.9 1.0
CG J:GLU61 3.9 34.7 1.0
O J:ALA70 3.9 25.4 1.0
CB J:ALA70 4.0 21.1 1.0
CG J:ARG74 4.0 34.5 1.0
OD1 I:ASP71 4.1 30.6 1.0
CG J:HIS57 4.1 31.9 1.0
NE J:ARG74 4.1 33.2 1.0
C J:ALA70 4.3 26.5 1.0
N J:GLU61 4.3 25.1 1.0
CA J:HIS57 4.4 34.0 1.0
C J:HIS57 4.5 33.9 1.0
CE1 J:HIS57 4.5 33.3 1.0
C J:ALA60 4.6 24.4 1.0
OE1 J:GLU61 4.6 39.0 1.0
CA J:ALA60 4.7 29.9 1.0
CA J:ALA70 4.7 24.6 1.0
ND1 J:HIS57 4.8 34.4 1.0
CB J:HIS57 4.8 30.7 1.0
N J:ASP71 4.8 28.0 1.0
CA J:GLU61 4.8 26.5 1.0
CB J:GLU61 4.9 27.0 1.0
NH2 J:ARG74 5.0 26.4 1.0
C3 I:TRS301 5.0 40.9 1.0

Magnesium binding site 9 out of 9 in 4hzc

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Magnesium binding site 9 out of 9 in the Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Crystal Structure of Serine Acetyltransferase From Brucella Abortus Strain S19 within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Mg301

b:47.8
occ:1.00
 O I:HOH459 2.3 41.5 1.0
CB J:SER69 3.5 26.9 1.0
C57 J:15P301 3.5 65.1 1.0
CB K:PRO66 3.6 30.1 1.0
OD2 J:ASP71 3.6 34.2 1.0
O K:PRO66 3.6 33.2 1.0
O I:HOH464 3.7 34.0 1.0
N I:TRS301 3.8 45.8 1.0
C56 J:15P301 3.8 53.6 1.0
OE1 I:GLU61 3.9 31.5 1.0
C K:PRO66 3.9 34.2 1.0
O28 J:15P301 4.1 60.3 1.0
OG J:SER69 4.2 23.8 1.0
O K:HOH472 4.2 48.1 1.0
CA K:PRO66 4.3 31.1 1.0
N K:ASP67 4.4 34.6 1.0
O K:HOH413 4.5 36.0 1.0
CD I:GLU61 4.6 32.8 1.0
CG J:ASP71 4.7 31.6 1.0
OD1 K:ASP67 4.8 33.6 1.0
C58 J:15P301 4.9 53.1 1.0
CA J:SER69 4.9 24.4 1.0
CG K:PRO66 4.9 30.6 1.0
O J:HOH457 4.9 34.6 1.0
CA K:ASP67 4.9 30.9 1.0

Reference:

S.Kumar, N.Kumar, N.Alam, S.Gourinath. Crystal Structure of Serine Acetyl Transferase From Brucella Abortus and Its Complex with Coenzyme A. Biochim.Biophys.Acta V.1844 1741 2014.
ISSN: ISSN 0006-3002
PubMed: 25058332
DOI: 10.1016/J.BBAPAP.2014.07.009
Page generated: Fri Aug 16 16:29:37 2024

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