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
Go back to
Calcium Binding Sites List in 3ohe
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
Go back to
Calcium Binding Sites List in 3ohe
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
Go back to
Calcium Binding Sites List in 3ohe
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
Go back to
Calcium Binding Sites List in 3ohe
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
|