Magnesium in PDB 4xer: Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium

Enzymatic activity of Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium

All present enzymatic activity of Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium:
3.1.3.5; 3.1.3.6; 3.6.1.11;

Protein crystallography data

The structure of Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium, PDB code: 4xer was solved by Y.K.Mathiharan, M.R.N.Murthy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.32 / 1.97
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 165.550, 96.520, 94.950, 90.00, 98.61, 90.00
R / Rfree (%) 16.5 / 21.4

Other elements in 4xer:

The structure of Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium (pdb code 4xer). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium, PDB code: 4xer:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 4xer

Go back to Magnesium Binding Sites List in 4xer
Magnesium binding site 1 out of 3 in the Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium


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 C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg303

b:32.9
occ:1.00
 O B:HOH451 2.3 40.2 1.0
O B:HOH457 2.3 62.0 1.0
OD1 B:ASP8 2.3 34.8 1.0
OD1 B:ASP9 2.5 33.4 1.0
OD1 B:ASN92 2.6 30.3 1.0
O B:HOH456 2.8 35.6 1.0
O B:HOH617 3.2 36.0 1.0
CG B:ASP8 3.3 34.3 1.0
O B:HOH452 3.4 21.9 1.0
CG B:ASN92 3.5 30.6 1.0
CG B:ASP9 3.5 33.0 1.0
CB B:ASP8 3.5 25.4 1.0
ND2 B:ASN92 3.7 26.5 1.0
OD2 B:ASP9 3.7 36.6 1.0
O B:HOH485 4.1 35.5 1.0
O B:HOH505 4.1 42.8 1.0
O B:HOH633 4.3 22.2 1.0
O B:HOH472 4.4 37.5 1.0
OD2 B:ASP8 4.4 34.5 1.0
OG1 B:THR106 4.6 27.2 1.0
C B:ASP8 4.6 28.6 1.0
N B:ASP9 4.8 27.5 1.0
CA B:ASP8 4.8 26.9 1.0
CB B:ASP9 4.9 29.2 1.0
O4 B:PO4301 4.9 46.8 0.8
CB B:ASN92 4.9 28.0 1.0
O B:ASP8 5.0 28.2 1.0

Magnesium binding site 2 out of 3 in 4xer

Go back to Magnesium Binding Sites List in 4xer
Magnesium binding site 2 out of 3 in the Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium


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 C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg302

b:43.0
occ:1.00
 O C:HOH423 2.3 53.9 1.0
O C:HOH555 2.5 42.6 1.0
OD1 C:ASP8 2.5 35.8 1.0
OD1 C:ASN92 2.6 34.4 1.0
OD1 C:ASP9 2.7 34.0 1.0
O C:HOH419 3.0 38.4 1.0
O C:HOH581 3.1 31.4 1.0
CG C:ASP8 3.3 37.6 1.0
O C:HOH418 3.4 24.5 1.0
CG C:ASN92 3.5 33.3 1.0
CB C:ASP8 3.5 32.2 1.0
CG C:ASP9 3.6 38.3 1.0
ND2 C:ASN92 3.7 31.5 1.0
OD2 C:ASP9 3.8 38.2 1.0
O C:HOH437 3.9 35.3 1.0
O C:HOH585 4.1 21.4 1.0
O C:HOH445 4.3 37.0 1.0
O C:HOH475 4.3 45.5 1.0
OG1 C:THR106 4.5 26.7 1.0
OD2 C:ASP8 4.5 34.9 1.0
C C:ASP8 4.6 36.2 1.0
CA C:ASP8 4.7 34.5 1.0
O C:ASP8 4.9 32.3 1.0
CB C:ASN92 4.9 28.7 1.0
N C:ASP9 4.9 31.5 1.0
CB C:ASP9 5.0 32.7 1.0

Magnesium binding site 3 out of 3 in 4xer

Go back to Magnesium Binding Sites List in 4xer
Magnesium binding site 3 out of 3 in the Crystal Structure of C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium


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 C2 Form of E112A/H234A Mutant of Stationary Phase Survival Protein (Sure) From Salmonella Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg301

b:29.6
occ:1.00
 OD1 D:ASP9 2.3 44.9 1.0
O D:HOH523 2.3 51.3 1.0
OG D:SER39 2.3 47.6 1.0
OD1 D:ASP8 2.4 43.5 1.0
OD1 D:ASN92 2.5 39.4 1.0
OD2 D:ASP8 2.8 53.9 1.0
CG D:ASP8 2.9 43.9 1.0
CG D:ASP9 3.3 50.6 1.0
CG D:ASN92 3.5 40.9 1.0
CB D:SER39 3.5 53.5 1.0
OD2 D:ASP9 3.7 56.7 1.0
O D:HOH530 3.7 54.4 1.0
ND2 D:ASN92 3.8 39.4 1.0
O D:HOH412 3.9 33.8 1.0
O D:HOH427 4.2 48.8 1.0
OD1 D:ASN37 4.2 53.4 1.0
CA D:SER39 4.4 56.6 1.0
CB D:ASP8 4.4 37.6 1.0
N D:ASP9 4.5 35.6 1.0
CB D:ASP9 4.5 41.9 1.0
CA D:ASP9 4.6 40.6 1.0
O D:ALA93 4.7 50.1 1.0
C D:ASP8 4.8 38.0 1.0
CB D:ASN92 4.9 41.2 1.0
OG1 D:THR106 4.9 38.2 1.0
N D:SER39 4.9 45.2 1.0

Reference:

Y.K.Mathiharan, H.S.Savithri, M.R.N.Murthy. Insights Into Stabilizing Interactions in the Distorted Domain-Swapped Dimer of Salmonella Typhimurium Survival Protein Acta Crystallogr.,Sect.D V. 71 1812 2015.
ISSN: ESSN 1399-0047
DOI: 10.1107/S1399004715011992
Page generated: Mon Dec 14 19:46:31 2020

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