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Calcium in PDB 8fha: Intramolecular Ester Bond-Containing Repeat Domain 1 From Suipraoptans Intestinalis Adhesin

Protein crystallography data

The structure of Intramolecular Ester Bond-Containing Repeat Domain 1 From Suipraoptans Intestinalis Adhesin, PDB code: 8fha 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) 48.03 / 1.49
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.051, 104.712, 52.587, 90, 91.81, 90
R / Rfree (%) 16.6 / 21.2

Other elements in 8fha:

The structure of Intramolecular Ester Bond-Containing Repeat Domain 1 From Suipraoptans Intestinalis Adhesin also contains other interesting chemical elements:

Sodium (Na) 6 atoms

Calcium Binding Sites:

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

Calcium binding site 1 out of 4 in 8fha

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Intramolecular Ester Bond-Containing Repeat Domain 1 From Suipraoptans Intestinalis Adhesin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca201

b:26.7
occ:1.00
 OE2 A:GLU129 2.3 24.7 1.0
O A:LYS127 2.4 27.5 1.0
OD1 A:ASP125 2.4 29.9 1.0
O A:HOH343 2.4 33.0 1.0
OD1 A:ASP123 2.4 30.2 1.0
OD1 A:ASP121 2.4 29.1 1.0
CG A:ASP125 3.2 34.9 1.0
CG A:ASP123 3.4 35.3 1.0
CG A:ASP121 3.5 26.8 1.0
CD A:GLU129 3.5 23.5 1.0
C A:LYS127 3.5 28.5 1.0
OD2 A:ASP125 3.5 36.9 1.0
OD2 A:ASP123 3.8 37.0 1.0
N A:LYS127 4.0 30.2 1.0
CA A:LYS127 4.1 31.8 1.0
CA A:ASP121 4.2 20.1 1.0
CG A:GLU129 4.2 24.6 1.0
N A:ASP125 4.2 36.1 1.0
CB A:LYS127 4.2 35.8 1.0
CB A:ASP121 4.2 24.3 1.0
CB A:GLU129 4.3 23.4 1.0
N A:ASP123 4.3 27.9 1.0
OD2 A:ASP121 4.4 36.4 1.0
CB A:ASP125 4.4 36.4 1.0
OE1 A:GLU129 4.4 24.3 1.0
N A:GLY124 4.5 35.5 1.0
N A:GLU129 4.5 21.7 1.0
N A:PRO128 4.5 26.8 1.0
C A:ASP121 4.6 21.0 1.0
N A:ALA122 4.6 23.1 1.0
CB A:ASP123 4.6 32.0 1.0
C A:PRO128 4.6 22.8 1.0
CA A:ASP125 4.7 36.1 1.0
CA A:PRO128 4.7 24.9 1.0
N A:LYS126 4.7 36.0 1.0
CA A:ASP123 4.8 31.8 1.0
C A:ASP123 4.8 34.0 1.0
C A:ASP125 4.8 35.4 1.0

Calcium binding site 2 out of 4 in 8fha

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Intramolecular Ester Bond-Containing Repeat Domain 1 From Suipraoptans Intestinalis Adhesin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca201

b:34.2
occ:1.00
 OE2 B:GLU129 2.3 30.3 1.0
OD1 B:ASP125 2.4 36.0 1.0
O B:LYS127 2.4 30.4 1.0
OD1 B:ASP121 2.4 34.7 1.0
O B:HOH313 2.4 41.1 1.0
OD1 B:ASP123 2.4 43.9 1.0
CG B:ASP125 3.2 43.0 1.0
CG B:ASP123 3.4 42.5 1.0
CG B:ASP121 3.4 31.1 1.0
OD2 B:ASP125 3.5 45.8 1.0
CD B:GLU129 3.5 27.1 1.0
C B:LYS127 3.5 28.9 1.0
OD2 B:ASP123 3.7 52.2 1.0
CA B:ASP121 3.9 26.6 1.0
CB B:ASP121 4.0 28.4 1.0
N B:LYS127 4.0 30.1 1.0
CA B:LYS127 4.2 29.9 1.0
CG B:GLU129 4.3 28.9 1.0
OE1 B:GLU129 4.3 29.2 1.0
CB B:LYS127 4.4 35.5 1.0
N B:ASP125 4.4 42.6 1.0
CB B:ASP125 4.4 43.5 1.0
C B:ASP121 4.4 28.9 1.0
OD2 B:ASP121 4.4 34.2 1.0
CB B:GLU129 4.5 26.7 1.0
N B:ALA122 4.5 30.1 1.0
N B:PRO128 4.6 26.8 1.0
N B:GLU129 4.6 23.8 1.0
N B:ASP123 4.6 37.8 1.0
C B:PRO128 4.7 24.6 1.0
N B:LYS126 4.7 29.9 1.0
CB B:ASP123 4.7 41.6 1.0
CA B:ASP125 4.7 41.4 1.0
CA B:PRO128 4.7 24.5 1.0
C B:ASP125 4.8 34.2 1.0

Calcium binding site 3 out of 4 in 8fha

Go back to Calcium Binding Sites List in 8fha
Calcium binding site 3 out of 4 in the Intramolecular Ester Bond-Containing Repeat Domain 1 From Suipraoptans Intestinalis Adhesin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Intramolecular Ester Bond-Containing Repeat Domain 1 From Suipraoptans Intestinalis Adhesin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca202

b:26.2
occ:1.00
 OE2 C:GLU129 2.3 24.5 1.0
O C:LYS127 2.4 26.9 1.0
OD1 C:ASP125 2.4 30.4 1.0
OD1 C:ASP123 2.4 33.7 1.0
OD1 C:ASP121 2.4 26.4 1.0
O C:HOH344 2.4 32.9 1.0
CG C:ASP123 3.2 33.2 1.0
CG C:ASP125 3.2 34.6 1.0
CD C:GLU129 3.5 20.8 1.0
CG C:ASP121 3.5 24.3 1.0
OD2 C:ASP123 3.5 43.8 1.0
C C:LYS127 3.5 26.4 1.0
OD2 C:ASP125 3.7 39.1 1.0
N C:LYS127 3.9 26.1 1.0
CG C:GLU129 4.1 21.1 1.0
N C:ASP125 4.1 30.3 1.0
CA C:LYS127 4.2 28.5 1.0
CA C:ASP121 4.2 19.3 1.0
CB C:ASP121 4.2 21.6 1.0
CB C:GLU129 4.2 20.0 1.0
N C:ASP123 4.3 26.1 1.0
OD2 C:ASP121 4.3 27.9 1.0
CB C:ASP125 4.4 36.1 1.0
N C:GLY124 4.4 32.5 1.0
N C:GLU129 4.4 18.3 1.0
CB C:LYS127 4.4 34.4 1.0
CB C:ASP123 4.4 31.9 1.0
OE1 C:GLU129 4.4 22.6 1.0
N C:PRO128 4.5 24.9 1.0
C C:PRO128 4.5 21.2 1.0
N C:LYS126 4.6 27.9 1.0
CA C:ASP125 4.6 33.1 1.0
CA C:PRO128 4.6 21.8 1.0
C C:ASP121 4.6 19.4 1.0
CA C:ASP123 4.7 29.5 1.0
C C:ASP123 4.7 32.7 1.0
C C:ASP125 4.7 33.7 1.0
N C:ALA122 4.7 21.8 1.0
CA C:GLU129 5.0 17.8 1.0

Calcium binding site 4 out of 4 in 8fha

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Intramolecular Ester Bond-Containing Repeat Domain 1 From Suipraoptans Intestinalis Adhesin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca201

b:36.1
occ:1.00
 OE2 D:GLU129 2.3 31.7 1.0
O D:LYS127 2.4 40.6 1.0
OD1 D:ASP125 2.4 38.7 1.0
OD1 D:ASP123 2.4 45.2 1.0
O D:HOH354 2.4 41.6 1.0
OD1 D:ASP121 2.4 37.8 1.0
CG D:ASP123 3.0 45.7 1.0
OD2 D:ASP123 3.1 56.6 1.0
CG D:ASP125 3.2 41.1 1.0
CG D:ASP121 3.4 32.2 1.0
C D:LYS127 3.5 38.1 1.0
CD D:GLU129 3.5 28.1 1.0
OD2 D:ASP125 3.5 41.3 1.0
N D:LYS127 4.0 41.3 1.0
CB D:ASP121 4.1 27.6 1.0
CA D:ASP121 4.1 24.5 1.0
CA D:LYS127 4.1 38.9 1.0
CG D:GLU129 4.2 28.1 1.0
N D:ASP125 4.2 43.7 1.0
N D:ASP123 4.3 34.0 1.0
CB D:ASP123 4.3 42.5 1.0
CB D:LYS127 4.3 39.2 1.0
CB D:GLU129 4.3 26.9 1.0
OD2 D:ASP121 4.4 37.5 1.0
N D:GLY124 4.4 42.1 1.0
CB D:ASP125 4.4 42.6 1.0
OE1 D:GLU129 4.4 28.8 1.0
N D:GLU129 4.5 25.1 1.0
N D:PRO128 4.5 35.3 1.0
C D:PRO128 4.6 29.2 1.0
N D:LYS126 4.6 43.7 1.0
C D:ASP121 4.6 25.3 1.0
CA D:ASP123 4.6 40.5 1.0
N D:ALA122 4.7 27.6 1.0
CA D:PRO128 4.7 31.2 1.0
C D:ASP123 4.7 41.9 1.0
CA D:ASP125 4.7 44.6 1.0
C D:ASP125 4.9 44.2 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 Jul 19 08:53:46 2024

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