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Calcium in PDB 3ohe: Crystal Structure of A Histidine Triad Protein (MAQU_1709) From Marinobacter Aquaeolei VT8 at 1.20 A Resolution

Protein crystallography data

The structure of Crystal Structure of A Histidine Triad Protein (MAQU_1709) From Marinobacter Aquaeolei VT8 at 1.20 A Resolution, PDB code: 3ohe was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.43 / 1.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.024, 80.485, 99.445, 90.00, 90.00, 90.00
R / Rfree (%) 12.8 / 15.4

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of A Histidine Triad Protein (MAQU_1709) From Marinobacter Aquaeolei VT8 at 1.20 A Resolution (pdb code 3ohe). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of A Histidine Triad Protein (MAQU_1709) From Marinobacter Aquaeolei VT8 at 1.20 A Resolution, PDB code: 3ohe:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 3ohe

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Calcium binding site 1 out of 4 in the Crystal Structure of A Histidine Triad Protein (MAQU_1709) From Marinobacter Aquaeolei VT8 at 1.20 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of A Histidine Triad Protein (MAQU_1709) From Marinobacter Aquaeolei VT8 at 1.20 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca137

b:14.5
occ:0.50
O A:HOH414 2.4 23.7 0.5
O A:ALA9 2.4 11.7 1.0
O A:THR12 2.5 10.4 1.0
O A:HOH414 2.5 26.7 0.5
O A:HOH219 2.5 25.1 1.0
O A:HOH242 2.7 16.9 1.0
O A:HOH415 3.4 21.9 0.5
C A:ALA9 3.5 10.4 1.0
C A:THR12 3.6 8.0 1.0
O A:HOH182 3.9 22.1 1.0
CA A:ALA9 4.1 9.7 1.0
OG1 A:THR12 4.2 9.5 1.0
CA A:HIS13 4.3 8.9 1.0
N A:HIS13 4.4 8.6 1.0
O A:HOH415 4.4 19.0 0.5
O A:HOH222 4.6 14.9 1.0
O A:HOH248 4.6 27.2 1.0
N A:THR12 4.6 8.0 1.0
CA A:THR12 4.6 7.2 1.0
CB A:ALA9 4.6 10.9 1.0
N A:ALA10 4.6 9.3 1.0
O A:HOH276 4.8 30.5 1.0
O A:HOH337 4.8 36.9 1.0
N A:LYS14 4.9 8.4 0.5
ND1 A:HIS13 4.9 13.7 1.0
N A:LYS14 4.9 8.2 0.5
CA A:ALA10 5.0 10.9 1.0
C A:HIS13 5.0 8.2 1.0

Calcium binding site 2 out of 4 in 3ohe

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Calcium binding site 2 out of 4 in the Crystal Structure of A Histidine Triad Protein (MAQU_1709) From Marinobacter Aquaeolei VT8 at 1.20 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of A Histidine Triad Protein (MAQU_1709) From Marinobacter Aquaeolei VT8 at 1.20 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca138

b:23.7
occ:0.50
CA A:CA138 0.0 23.7 0.5
CA A:CA138 2.1 22.9 0.5
OE1 A:GLN55 2.4 13.5 0.5
O A:HOH431 2.6 35.3 1.0
O A:HOH432 2.6 39.3 1.0
OE1 A:GLN55 2.7 22.9 0.5
OE1 A:GLU52 2.9 23.5 1.0
CD A:GLN55 3.4 19.6 0.5
NE2 A:GLN55 3.5 24.3 0.5
CD A:GLN55 3.6 11.2 0.5
OE2 A:GLU52 3.6 28.1 1.0
CD A:GLU52 3.6 23.6 1.0
NE2 A:GLN55 4.3 15.6 0.5
O A:HOH243 4.5 16.8 1.0
NE2 B:GLN55 4.6 11.6 0.5
CG A:GLN55 4.6 13.5 0.5
CB A:GLN55 4.6 10.3 0.5
O B:HOH383 4.7 41.5 1.0
CB A:GLN55 4.7 8.9 0.5
CG A:GLN55 4.7 8.7 0.5

Calcium binding site 3 out of 4 in 3ohe

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Calcium binding site 3 out of 4 in the Crystal Structure of A Histidine Triad Protein (MAQU_1709) From Marinobacter Aquaeolei VT8 at 1.20 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of A Histidine Triad Protein (MAQU_1709) From Marinobacter Aquaeolei VT8 at 1.20 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca138

b:22.9
occ:0.50
CA A:CA138 0.0 22.9 0.5
O A:HOH432 2.1 39.3 1.0
CA A:CA138 2.1 23.7 0.5
O A:HOH431 2.4 35.3 1.0
OE1 A:GLN55 3.9 13.5 0.5
OE1 A:GLN55 4.0 22.9 0.5
OE2 A:GLU52 4.3 28.1 1.0
OE1 A:GLU52 4.5 23.5 1.0
NE2 A:GLN55 4.6 24.3 0.5
CD A:GLN55 4.7 19.6 0.5
CD A:GLN55 4.9 11.2 0.5
CD A:GLU52 4.9 23.6 1.0

Calcium binding site 4 out of 4 in 3ohe

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Calcium binding site 4 out of 4 in the Crystal Structure of A Histidine Triad Protein (MAQU_1709) From Marinobacter Aquaeolei VT8 at 1.20 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of A Histidine Triad Protein (MAQU_1709) From Marinobacter Aquaeolei VT8 at 1.20 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca137

b:15.6
occ:0.50
O B:ALA9 2.4 11.7 1.0
O B:HOH338 2.4 35.2 1.0
O B:HOH232 2.4 15.4 1.0
O B:THR12 2.4 10.2 1.0
O B:HOH416 2.5 41.4 1.0
O B:HOH385 2.5 43.9 1.0
O B:HOH367 2.8 43.9 1.0
O B:HOH163 2.8 19.3 1.0
C B:ALA9 3.5 9.3 1.0
C B:THR12 3.6 8.2 1.0
CA B:ALA9 4.1 9.2 1.0
O B:HOH183 4.2 20.4 1.0
OG1 B:THR12 4.2 8.9 1.0
CA B:HIS13 4.3 8.0 1.0
O B:HOH333 4.3 34.0 1.0
N B:HIS13 4.4 7.8 1.0
N B:THR12 4.5 7.9 1.0
N B:ALA10 4.5 9.3 1.0
CA B:THR12 4.6 7.8 1.0
O B:HOH267 4.6 27.7 1.0
CB B:ALA9 4.6 9.9 1.0
O B:HOH259 4.7 28.4 1.0
O B:HOH202 4.7 22.1 1.0
N B:LYS14 4.8 9.0 1.0
CA B:ALA10 4.8 10.1 1.0
C B:ALA10 4.9 10.2 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sat Jul 13 15:18:15 2024

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