Magnesium in PDB 8f90: Intramolecular Ester Bond-Containing Repeat Domain 2 From Suipraoptans Intestinalis Adhesin

Protein crystallography data

The structure of Intramolecular Ester Bond-Containing Repeat Domain 2 From Suipraoptans Intestinalis Adhesin, PDB code: 8f90 was solved by S.Jin, P.G.Young, C.J.Squire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.30 / 1.60
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 82.075, 90.603, 89.686, 90, 90, 90
R / Rfree (%) 15.7 / 19.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Intramolecular Ester Bond-Containing Repeat Domain 2 From Suipraoptans Intestinalis Adhesin (pdb code 8f90). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Intramolecular Ester Bond-Containing Repeat Domain 2 From Suipraoptans Intestinalis Adhesin, PDB code: 8f90:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 8f90

Go back to Magnesium Binding Sites List in 8f90
Magnesium binding site 1 out of 4 in the Intramolecular Ester Bond-Containing Repeat Domain 2 From Suipraoptans Intestinalis Adhesin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Intramolecular Ester Bond-Containing Repeat Domain 2 From Suipraoptans Intestinalis Adhesin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg201

b:20.2
occ:1.00
 O A:HOH312 2.0 22.4 1.0
OD1 A:ASP120 2.0 19.2 1.0
OD1 A:ASP122 2.1 23.9 1.0
O A:ILE126 2.1 20.1 1.0
OD2 A:ASP128 2.1 20.9 1.0
OD1 A:ASP124 2.1 21.6 1.0
CG A:ASP124 3.1 23.6 1.0
CG A:ASP120 3.2 17.6 1.0
CG A:ASP122 3.2 24.1 1.0
C A:ILE126 3.2 19.4 1.0
CG A:ASP128 3.2 25.3 1.0
OD2 A:ASP124 3.5 26.8 1.0
OD2 A:ASP122 3.7 33.8 1.0
CB A:ASP128 3.8 27.5 1.0
N A:ILE126 3.9 20.6 1.0
CA A:ILE126 3.9 21.4 1.0
CB A:ASP120 4.0 17.4 1.0
CA A:ASP120 4.0 18.2 1.0
OD2 A:ASP120 4.0 19.8 1.0
CB A:ILE126 4.1 22.3 1.0
N A:ASP122 4.1 21.2 1.0
N A:THR121 4.2 19.1 1.0
OD1 A:ASP128 4.3 28.7 1.0
N A:ASP124 4.3 20.7 1.0
N A:PRO127 4.3 22.0 1.0
CB A:ASP124 4.3 23.7 1.0
CB A:ASP122 4.4 23.5 1.0
N A:ASP128 4.4 21.3 1.0
C A:PRO127 4.5 23.3 1.0
C A:ASP120 4.5 18.4 1.0
N A:TYR123 4.5 19.9 1.0
CA A:PRO127 4.6 22.3 1.0
CA A:ASP122 4.6 22.2 1.0
C A:ASP122 4.7 21.1 1.0
CA A:ASP124 4.7 21.9 1.0
N A:ASN125 4.8 21.7 1.0
CG2 A:ILE126 4.8 24.7 1.0
CA A:ASP128 4.8 25.9 1.0
O A:PRO127 4.9 25.4 1.0
C A:ASP124 4.9 20.8 1.0

Magnesium binding site 2 out of 4 in 8f90

Go back to Magnesium Binding Sites List in 8f90
Magnesium binding site 2 out of 4 in the Intramolecular Ester Bond-Containing Repeat Domain 2 From Suipraoptans Intestinalis Adhesin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Intramolecular Ester Bond-Containing Repeat Domain 2 From Suipraoptans Intestinalis Adhesin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg201

b:22.1
occ:1.00
 O B:HOH340 2.0 25.5 1.0
OD1 B:ASP120 2.0 20.6 1.0
OD1 B:ASP122 2.0 24.6 1.0
OD1 B:ASP124 2.1 23.9 1.0
O B:ILE126 2.1 24.3 1.0
OD2 B:ASP128 2.1 23.0 1.0
CG B:ASP124 3.0 25.3 1.0
CG B:ASP122 3.1 26.1 1.0
CG B:ASP120 3.2 19.6 1.0
C B:ILE126 3.2 23.7 1.0
CG B:ASP128 3.2 24.5 1.0
OD2 B:ASP124 3.4 27.1 1.0
OD2 B:ASP122 3.6 36.1 1.0
CB B:ASP128 3.8 24.7 1.0
N B:ILE126 3.9 24.4 1.0
CA B:ILE126 3.9 25.4 1.0
CA B:ASP120 4.0 19.5 1.0
CB B:ASP120 4.0 19.8 1.0
CB B:ILE126 4.1 26.9 1.0
OD2 B:ASP120 4.1 22.7 1.0
N B:ASP122 4.1 21.5 1.0
N B:THR121 4.2 19.5 1.0
OD1 B:ASP128 4.3 25.9 1.0
CB B:ASP124 4.3 25.9 1.0
N B:PRO127 4.3 25.7 1.0
N B:ASP124 4.3 23.8 1.0
CB B:ASP122 4.4 24.5 1.0
C B:ASP120 4.4 18.9 1.0
N B:ASP128 4.5 21.3 1.0
C B:PRO127 4.5 24.3 1.0
CA B:PRO127 4.6 24.1 1.0
N B:TYR123 4.6 21.5 1.0
CA B:ASP122 4.6 23.2 1.0
CA B:ASP124 4.7 23.9 1.0
C B:ASP122 4.7 23.1 1.0
N B:ASN125 4.8 25.6 1.0
CA B:ASP128 4.8 23.8 1.0
CG2 B:ILE126 4.8 28.1 1.0
C B:ASP124 4.9 24.9 1.0

Magnesium binding site 3 out of 4 in 8f90

Go back to Magnesium Binding Sites List in 8f90
Magnesium binding site 3 out of 4 in the Intramolecular Ester Bond-Containing Repeat Domain 2 From Suipraoptans Intestinalis Adhesin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Intramolecular Ester Bond-Containing Repeat Domain 2 From Suipraoptans Intestinalis Adhesin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg201

b:21.2
occ:1.00
 O C:HOH308 2.0 23.7 1.0
OD1 C:ASP120 2.0 19.8 1.0
OD1 C:ASP122 2.0 24.4 1.0
OD1 C:ASP124 2.1 24.8 1.0
O C:ILE126 2.1 22.8 1.0
OD2 C:ASP128 2.1 21.7 1.0
CG C:ASP124 3.0 26.7 1.0
CG C:ASP122 3.1 22.9 1.0
CG C:ASP120 3.2 19.9 1.0
CG C:ASP128 3.2 20.0 1.0
C C:ILE126 3.2 22.8 1.0
OD2 C:ASP124 3.4 28.5 1.0
OD2 C:ASP122 3.4 30.2 1.0
CB C:ASP128 3.8 22.1 1.0
N C:ILE126 3.8 22.4 1.0
CA C:ILE126 3.9 24.0 1.0
CA C:ASP120 4.0 18.9 1.0
OD2 C:ASP120 4.1 22.2 1.0
CB C:ASP120 4.1 20.1 1.0
N C:THR121 4.1 18.1 1.0
N C:ASP122 4.1 19.5 1.0
CB C:ILE126 4.2 26.9 1.0
CB C:ASP124 4.3 25.6 1.0
N C:ASP124 4.3 24.8 1.0
OD1 C:ASP128 4.3 20.2 1.0
N C:PRO127 4.3 22.9 1.0
CB C:ASP122 4.4 22.2 1.0
C C:PRO127 4.5 22.9 1.0
N C:ASP128 4.5 21.9 1.0
CA C:PRO127 4.5 23.0 1.0
C C:ASP120 4.6 18.9 1.0
CA C:ASP122 4.6 21.2 1.0
N C:ASN125 4.6 25.0 1.0
CA C:ASP124 4.6 24.6 1.0
C C:ASP122 4.7 20.2 1.0
C C:ASP124 4.8 25.2 1.0
N C:TYR123 4.8 21.0 1.0
CA C:ASP128 4.8 21.4 1.0
O C:PRO127 4.9 24.1 1.0
CG2 C:ILE126 4.9 28.0 1.0
C C:ASN125 5.0 24.8 1.0

Magnesium binding site 4 out of 4 in 8f90

Go back to Magnesium Binding Sites List in 8f90
Magnesium binding site 4 out of 4 in the Intramolecular Ester Bond-Containing Repeat Domain 2 From Suipraoptans Intestinalis Adhesin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Intramolecular Ester Bond-Containing Repeat Domain 2 From Suipraoptans Intestinalis Adhesin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg201

b:18.0
occ:1.00
 O D:HOH315 2.0 19.8 1.0
OD1 D:ASP120 2.0 18.9 1.0
OD1 D:ASP122 2.1 21.7 1.0
OD1 D:ASP124 2.1 20.8 1.0
O D:ILE126 2.1 17.9 1.0
OD2 D:ASP128 2.1 19.8 1.0
CG D:ASP124 3.0 19.4 1.0
CG D:ASP122 3.1 22.4 1.0
CG D:ASP120 3.2 20.0 1.0
C D:ILE126 3.2 19.6 1.0
CG D:ASP128 3.2 18.3 1.0
OD2 D:ASP124 3.4 20.3 1.0
OD2 D:ASP122 3.6 27.6 1.0
CB D:ASP128 3.8 19.4 1.0
N D:ILE126 3.8 19.6 1.0
CA D:ILE126 3.9 20.2 1.0
OD2 D:ASP120 4.0 21.7 1.0
CA D:ASP120 4.0 18.3 1.0
CB D:ASP120 4.0 18.8 1.0
CB D:ILE126 4.1 21.3 1.0
N D:ASP122 4.1 19.2 1.0
N D:THR121 4.1 18.3 1.0
CB D:ASP124 4.3 19.7 1.0
OD1 D:ASP128 4.3 20.5 1.0
N D:PRO127 4.3 20.4 1.0
N D:ASP124 4.3 19.6 1.0
CB D:ASP122 4.4 23.2 1.0
N D:ASP128 4.5 19.6 1.0
C D:PRO127 4.5 18.8 1.0
C D:ASP120 4.5 18.0 1.0
CA D:PRO127 4.6 19.4 1.0
CA D:ASP122 4.6 20.6 1.0
CA D:ASP124 4.7 20.4 1.0
C D:ASP122 4.7 20.0 1.0
N D:ASN125 4.7 22.3 1.0
N D:TYR123 4.8 19.3 1.0
CA D:ASP128 4.8 18.9 1.0
CG2 D:ILE126 4.8 21.2 1.0
C D:ASP124 4.8 21.2 1.0
O D:PRO127 4.9 22.0 1.0
C D:ASN125 5.0 19.9 1.0

Reference:

S.Jin, P.G.Young, C.J.Squire. Intramolecular Ester Bond-Containing Repeat Domain From Suipraoptans Intestinalis Adhesin To Be Published.
Page generated: Fri Oct 4 02:26:06 2024

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