Magnesium in PDB 4o0m: Crystal Structure of T. Elongatus Bp-1 Clock Protein Kaic
Enzymatic activity of Crystal Structure of T. Elongatus Bp-1 Clock Protein Kaic
All present enzymatic activity of Crystal Structure of T. Elongatus Bp-1 Clock Protein Kaic:
2.7.11.1;
Protein crystallography data
The structure of Crystal Structure of T. Elongatus Bp-1 Clock Protein Kaic, PDB code: 4o0m
was solved by
R.Pattanayek,
M.Egli,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
58.99 /
2.84
|
Space group
|
C 2 2 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
130.810,
195.290,
136.640,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
22.5 /
27
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of T. Elongatus Bp-1 Clock Protein Kaic
(pdb code 4o0m). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the
Crystal Structure of T. Elongatus Bp-1 Clock Protein Kaic, PDB code: 4o0m:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
Magnesium binding site 1 out
of 6 in 4o0m
Go back to
Magnesium Binding Sites List in 4o0m
Magnesium binding site 1 out
of 6 in the Crystal Structure of T. Elongatus Bp-1 Clock Protein Kaic
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 T. Elongatus Bp-1 Clock Protein Kaic within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg801
b:32.9
occ:1.00
|
O3B
|
A:ATP802
|
1.9
|
45.3
|
1.0
|
OG1
|
A:THR295
|
2.1
|
46.0
|
1.0
|
O2G
|
A:ATP802
|
2.5
|
65.1
|
1.0
|
PG
|
A:ATP802
|
2.7
|
47.0
|
1.0
|
O3G
|
A:ATP802
|
3.3
|
33.0
|
1.0
|
PB
|
A:ATP802
|
3.3
|
30.9
|
1.0
|
CB
|
A:THR295
|
3.4
|
40.9
|
1.0
|
O3A
|
A:ATP802
|
3.5
|
32.4
|
1.0
|
OE2
|
A:GLU319
|
3.6
|
66.0
|
1.0
|
OE1
|
A:GLU318
|
3.8
|
63.5
|
1.0
|
OD1
|
A:ASP378
|
4.0
|
44.1
|
1.0
|
O1B
|
A:ATP802
|
4.0
|
28.7
|
1.0
|
O1G
|
A:ATP802
|
4.0
|
35.6
|
1.0
|
N
|
A:THR295
|
4.2
|
29.7
|
1.0
|
O2A
|
A:ATP802
|
4.3
|
42.3
|
1.0
|
CG2
|
A:THR295
|
4.3
|
36.8
|
1.0
|
O
|
A:HOH922
|
4.3
|
47.0
|
1.0
|
O2B
|
A:ATP802
|
4.3
|
42.4
|
1.0
|
CA
|
A:THR295
|
4.3
|
32.6
|
1.0
|
PA
|
A:ATP802
|
4.5
|
31.8
|
1.0
|
CG
|
A:ASP378
|
4.7
|
51.5
|
1.0
|
NH2
|
B:ARG459
|
4.7
|
43.4
|
1.0
|
OD2
|
A:ASP378
|
4.8
|
49.6
|
1.0
|
NZ
|
A:LYS294
|
4.8
|
31.1
|
1.0
|
CD
|
A:GLU319
|
4.8
|
51.7
|
1.0
|
|
Magnesium binding site 2 out
of 6 in 4o0m
Go back to
Magnesium Binding Sites List in 4o0m
Magnesium binding site 2 out
of 6 in the Crystal Structure of T. Elongatus Bp-1 Clock Protein Kaic
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 T. Elongatus Bp-1 Clock Protein Kaic within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg804
b:64.6
occ:1.00
|
OE2
|
A:GLU79
|
2.0
|
54.9
|
1.0
|
CG2
|
A:THR54
|
2.1
|
42.0
|
1.0
|
OG1
|
A:THR54
|
2.2
|
49.9
|
1.0
|
CB
|
A:THR54
|
2.5
|
42.1
|
1.0
|
CD
|
A:GLU79
|
3.2
|
52.4
|
1.0
|
O3G
|
A:ATP803
|
3.3
|
63.2
|
1.0
|
OD2
|
A:ASP146
|
3.5
|
49.0
|
1.0
|
O3B
|
A:ATP803
|
3.6
|
49.7
|
1.0
|
O2A
|
A:ATP803
|
3.9
|
31.2
|
1.0
|
OE1
|
A:GLU79
|
3.9
|
37.1
|
1.0
|
CA
|
A:THR54
|
4.0
|
33.6
|
1.0
|
CG
|
A:GLU79
|
4.1
|
45.0
|
1.0
|
PG
|
A:ATP803
|
4.1
|
74.5
|
1.0
|
O3A
|
A:ATP803
|
4.4
|
36.4
|
1.0
|
CG
|
A:ASP146
|
4.4
|
47.2
|
1.0
|
NE
|
B:ARG227
|
4.4
|
38.0
|
1.0
|
CZ
|
B:ARG227
|
4.4
|
39.7
|
1.0
|
OD1
|
A:ASP146
|
4.5
|
56.0
|
1.0
|
NH2
|
B:ARG227
|
4.5
|
45.4
|
1.0
|
PA
|
A:ATP803
|
4.6
|
30.0
|
1.0
|
PB
|
A:ATP803
|
4.6
|
34.0
|
1.0
|
N
|
A:THR54
|
4.7
|
31.1
|
1.0
|
O2G
|
A:ATP803
|
4.9
|
74.1
|
1.0
|
C
|
A:THR54
|
5.0
|
38.1
|
1.0
|
NH1
|
B:ARG227
|
5.0
|
39.6
|
1.0
|
O1A
|
A:ATP803
|
5.0
|
53.6
|
1.0
|
CD
|
B:ARG227
|
5.0
|
35.7
|
1.0
|
|
Magnesium binding site 3 out
of 6 in 4o0m
Go back to
Magnesium Binding Sites List in 4o0m
Magnesium binding site 3 out
of 6 in the Crystal Structure of T. Elongatus Bp-1 Clock Protein Kaic
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 T. Elongatus Bp-1 Clock Protein Kaic within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg601
b:47.1
occ:1.00
|
OG1
|
B:THR295
|
2.1
|
46.0
|
1.0
|
O3B
|
B:ATP602
|
2.2
|
52.5
|
1.0
|
O2G
|
B:ATP602
|
2.9
|
75.5
|
1.0
|
PG
|
B:ATP602
|
3.0
|
54.2
|
1.0
|
OE1
|
B:GLU318
|
3.2
|
84.5
|
1.0
|
O3G
|
B:ATP602
|
3.3
|
47.1
|
1.0
|
OE2
|
B:GLU319
|
3.3
|
75.9
|
1.0
|
CB
|
B:THR295
|
3.5
|
39.1
|
1.0
|
PB
|
B:ATP602
|
3.6
|
42.3
|
1.0
|
O3A
|
B:ATP602
|
3.7
|
41.5
|
1.0
|
OD1
|
B:ASP378
|
3.8
|
47.2
|
1.0
|
OD2
|
B:ASP378
|
4.1
|
61.0
|
1.0
|
CG2
|
B:THR295
|
4.2
|
42.9
|
1.0
|
CG
|
B:ASP378
|
4.3
|
63.4
|
1.0
|
O1G
|
B:ATP602
|
4.4
|
40.8
|
1.0
|
O1B
|
B:ATP602
|
4.4
|
32.7
|
1.0
|
NH2
|
C:ARG459
|
4.4
|
47.0
|
1.0
|
CA
|
B:THR295
|
4.5
|
35.5
|
1.0
|
CD
|
B:GLU318
|
4.5
|
70.9
|
1.0
|
N
|
B:THR295
|
4.5
|
33.7
|
1.0
|
CD
|
B:GLU319
|
4.5
|
67.0
|
1.0
|
O2B
|
B:ATP602
|
4.5
|
63.7
|
1.0
|
O2A
|
B:ATP602
|
4.7
|
57.9
|
1.0
|
PA
|
B:ATP602
|
4.9
|
36.0
|
1.0
|
CZ
|
C:ARG459
|
5.0
|
44.4
|
1.0
|
NE
|
C:ARG459
|
5.0
|
43.9
|
1.0
|
|
Magnesium binding site 4 out
of 6 in 4o0m
Go back to
Magnesium Binding Sites List in 4o0m
Magnesium binding site 4 out
of 6 in the Crystal Structure of T. Elongatus Bp-1 Clock Protein Kaic
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure of T. Elongatus Bp-1 Clock Protein Kaic within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg603
b:41.7
occ:1.00
|
OG1
|
B:THR54
|
2.0
|
41.7
|
1.0
|
O3B
|
B:ATP604
|
2.4
|
50.2
|
1.0
|
O3A
|
B:ATP604
|
3.2
|
41.9
|
1.0
|
CB
|
B:THR54
|
3.4
|
44.4
|
1.0
|
PG
|
B:ATP604
|
3.5
|
61.6
|
1.0
|
PB
|
B:ATP604
|
3.5
|
46.2
|
1.0
|
O3G
|
B:ATP604
|
3.6
|
50.1
|
1.0
|
O2G
|
B:ATP604
|
3.6
|
59.0
|
1.0
|
OE2
|
B:GLU79
|
3.7
|
66.7
|
1.0
|
OD2
|
B:ASP146
|
3.8
|
62.9
|
1.0
|
OD1
|
B:ASP146
|
4.2
|
53.5
|
1.0
|
O1B
|
B:ATP604
|
4.2
|
35.5
|
1.0
|
CG2
|
B:THR54
|
4.2
|
41.6
|
1.0
|
N
|
B:THR54
|
4.2
|
36.5
|
1.0
|
NH2
|
C:ARG227
|
4.3
|
50.8
|
1.0
|
CA
|
B:THR54
|
4.3
|
38.7
|
1.0
|
CG
|
B:ASP146
|
4.4
|
58.3
|
1.0
|
PA
|
B:ATP604
|
4.6
|
30.8
|
1.0
|
O2B
|
B:ATP604
|
4.7
|
67.1
|
1.0
|
NE
|
C:ARG227
|
4.7
|
36.2
|
1.0
|
CZ
|
C:ARG227
|
4.7
|
38.1
|
1.0
|
O1G
|
B:ATP604
|
4.8
|
53.5
|
1.0
|
CD
|
B:GLU79
|
4.8
|
52.3
|
1.0
|
OG
|
B:SER147
|
4.9
|
82.7
|
1.0
|
O2A
|
B:ATP604
|
5.0
|
61.0
|
1.0
|
CB
|
B:LYS53
|
5.0
|
32.2
|
1.0
|
|
Magnesium binding site 5 out
of 6 in 4o0m
Go back to
Magnesium Binding Sites List in 4o0m
Magnesium binding site 5 out
of 6 in the Crystal Structure of T. Elongatus Bp-1 Clock Protein Kaic
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Crystal Structure of T. Elongatus Bp-1 Clock Protein Kaic within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg601
b:44.8
occ:1.00
|
OG1
|
C:THR295
|
2.0
|
53.3
|
1.0
|
O3B
|
C:ATP602
|
2.3
|
54.8
|
1.0
|
CB
|
C:THR295
|
3.1
|
46.3
|
1.0
|
O3A
|
C:ATP602
|
3.2
|
41.0
|
1.0
|
O3G
|
C:ATP602
|
3.2
|
36.8
|
1.0
|
PG
|
C:ATP602
|
3.3
|
52.5
|
1.0
|
PB
|
C:ATP602
|
3.4
|
47.9
|
1.0
|
O2A
|
C:ATP602
|
3.7
|
39.2
|
1.0
|
CG2
|
C:THR295
|
3.8
|
47.5
|
1.0
|
O2G
|
C:ATP602
|
3.8
|
68.2
|
1.0
|
PA
|
C:ATP602
|
4.0
|
39.8
|
1.0
|
OE2
|
C:GLU319
|
4.1
|
63.8
|
1.0
|
O2B
|
C:ATP602
|
4.1
|
77.2
|
1.0
|
OE2
|
C:GLU318
|
4.2
|
95.9
|
1.0
|
CA
|
C:THR295
|
4.3
|
46.9
|
1.0
|
N
|
C:THR295
|
4.4
|
44.9
|
1.0
|
OD1
|
C:ASP378
|
4.5
|
53.1
|
1.0
|
O1B
|
C:ATP602
|
4.5
|
34.9
|
1.0
|
O1G
|
C:ATP602
|
4.6
|
40.5
|
1.0
|
OD2
|
C:ASP378
|
4.7
|
54.9
|
1.0
|
O1A
|
C:ATP602
|
4.8
|
58.1
|
1.0
|
CD
|
C:GLU319
|
4.8
|
51.6
|
1.0
|
CG
|
C:ASP378
|
4.9
|
60.6
|
1.0
|
CG
|
C:GLU318
|
5.0
|
67.8
|
1.0
|
|
Magnesium binding site 6 out
of 6 in 4o0m
Go back to
Magnesium Binding Sites List in 4o0m
Magnesium binding site 6 out
of 6 in the Crystal Structure of T. Elongatus Bp-1 Clock Protein Kaic
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Crystal Structure of T. Elongatus Bp-1 Clock Protein Kaic within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg604
b:45.4
occ:1.00
|
OG1
|
C:THR54
|
2.1
|
42.0
|
1.0
|
O3B
|
C:ATP603
|
2.1
|
54.0
|
1.0
|
O2G
|
C:ATP603
|
2.6
|
68.2
|
1.0
|
PG
|
C:ATP603
|
2.7
|
62.5
|
1.0
|
O3G
|
C:ATP603
|
3.0
|
44.4
|
1.0
|
OD2
|
C:ASP146
|
3.5
|
51.5
|
1.0
|
PB
|
C:ATP603
|
3.5
|
27.6
|
1.0
|
CB
|
C:THR54
|
3.5
|
45.1
|
1.0
|
O3A
|
C:ATP603
|
3.7
|
37.3
|
1.0
|
OD1
|
C:ASP146
|
3.9
|
43.3
|
1.0
|
O1G
|
C:ATP603
|
4.1
|
39.1
|
1.0
|
CG
|
C:ASP146
|
4.1
|
44.8
|
1.0
|
O1B
|
C:ATP603
|
4.1
|
32.1
|
1.0
|
N
|
C:THR54
|
4.2
|
36.9
|
1.0
|
CA
|
C:THR54
|
4.3
|
39.2
|
1.0
|
CG2
|
C:THR54
|
4.4
|
40.0
|
1.0
|
OE2
|
C:GLU79
|
4.4
|
68.9
|
1.0
|
O2A
|
C:ATP603
|
4.5
|
29.8
|
1.0
|
O2B
|
C:ATP603
|
4.6
|
53.7
|
1.0
|
O
|
C:HOH737
|
4.6
|
38.6
|
1.0
|
PA
|
C:ATP603
|
4.8
|
31.8
|
1.0
|
CE
|
C:LYS53
|
4.8
|
31.8
|
1.0
|
CB
|
C:LYS53
|
4.9
|
33.8
|
1.0
|
|
Reference:
R.Pattanayek,
Y.Xu,
A.Lamichhane,
C.H.Johnson,
M.Egli.
An Arginine Tetrad As Mediator of Input-Dependent and Input-Independent Atpases in the Clock Protein Kaic Acta Crystallogr.,Sect.D V. D70 1375 2014.
ISSN: ISSN 0907-4449
Page generated: Tue Aug 20 00:12:59 2024
|