Magnesium in PDB 1rkv: Structure of Phosphate Complex of Thrh From Pseudomonas Aeruginosa
Protein crystallography data
The structure of Structure of Phosphate Complex of Thrh From Pseudomonas Aeruginosa, PDB code: 1rkv
was solved by
S.K.Singh,
K.Yang,
K.Subramanian,
S.Karthikeyan,
T.Huynh,
X.Zhang,
M.A.Phillips,
H.Zhang,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
35.88 /
1.90
|
Space group
|
C 2 2 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
71.751,
93.021,
132.348,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.7 /
23
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Structure of Phosphate Complex of Thrh From Pseudomonas Aeruginosa
(pdb code 1rkv). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
Structure of Phosphate Complex of Thrh From Pseudomonas Aeruginosa, PDB code: 1rkv:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 1rkv
Go back to
Magnesium Binding Sites List in 1rkv
Magnesium binding site 1 out
of 4 in the Structure of Phosphate Complex of Thrh From Pseudomonas Aeruginosa
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Structure of Phosphate Complex of Thrh From Pseudomonas Aeruginosa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg401
b:25.2
occ:1.00
|
OD2
|
A:ASP7
|
2.1
|
24.0
|
1.0
|
O
|
A:GLU9
|
2.1
|
20.9
|
1.0
|
O2
|
A:PO4320
|
2.2
|
36.1
|
1.0
|
O
|
A:HOH526
|
2.2
|
23.4
|
1.0
|
OD1
|
A:ASP152
|
2.2
|
23.9
|
1.0
|
O
|
A:HOH538
|
2.2
|
23.5
|
1.0
|
CG
|
A:ASP152
|
3.2
|
25.1
|
1.0
|
CG
|
A:ASP7
|
3.2
|
25.1
|
1.0
|
C
|
A:GLU9
|
3.3
|
23.0
|
1.0
|
OD2
|
A:ASP152
|
3.4
|
24.1
|
1.0
|
P
|
A:PO4320
|
3.5
|
44.5
|
1.0
|
OD1
|
A:ASP7
|
3.7
|
26.7
|
1.0
|
O
|
A:HOH546
|
3.9
|
29.5
|
1.0
|
OG
|
A:SER153
|
4.0
|
33.5
|
1.0
|
OD2
|
A:ASP156
|
4.0
|
25.7
|
1.0
|
O3
|
A:PO4320
|
4.0
|
38.5
|
1.0
|
O1
|
A:PO4320
|
4.0
|
36.9
|
1.0
|
CA
|
A:GLU9
|
4.1
|
22.3
|
1.0
|
N
|
A:GLU9
|
4.1
|
19.8
|
1.0
|
CB
|
A:GLU9
|
4.2
|
21.9
|
1.0
|
OE2
|
A:GLU15
|
4.3
|
31.8
|
1.0
|
N
|
A:GLY10
|
4.3
|
24.4
|
1.0
|
O
|
A:HOH722
|
4.3
|
43.8
|
1.0
|
CB
|
A:ASP7
|
4.4
|
19.8
|
1.0
|
CA
|
A:GLY10
|
4.5
|
25.1
|
1.0
|
CB
|
A:ASP152
|
4.5
|
23.9
|
1.0
|
OD1
|
A:ASN155
|
4.6
|
32.6
|
1.0
|
O4
|
A:PO4320
|
4.6
|
42.3
|
1.0
|
N
|
A:ASP152
|
4.7
|
21.7
|
1.0
|
OD1
|
A:ASP156
|
4.8
|
23.9
|
1.0
|
CG
|
A:ASP156
|
4.8
|
24.5
|
1.0
|
CB
|
A:SER153
|
4.8
|
25.0
|
1.0
|
C
|
A:LEU8
|
4.9
|
20.5
|
1.0
|
N
|
A:SER153
|
5.0
|
24.5
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 1rkv
Go back to
Magnesium Binding Sites List in 1rkv
Magnesium binding site 2 out
of 4 in the Structure of Phosphate Complex of Thrh From Pseudomonas Aeruginosa
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Structure of Phosphate Complex of Thrh From Pseudomonas Aeruginosa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg402
b:37.2
occ:1.00
|
O
|
A:HOH649
|
2.2
|
34.1
|
1.0
|
OD2
|
A:ASP152
|
2.2
|
24.1
|
1.0
|
O
|
A:HOH789
|
2.3
|
39.4
|
1.0
|
O
|
A:HOH572
|
2.3
|
29.3
|
1.0
|
O
|
A:HOH717
|
2.4
|
41.7
|
1.0
|
O
|
A:HOH794
|
2.5
|
39.0
|
1.0
|
CG
|
A:ASP152
|
3.3
|
25.1
|
1.0
|
CB
|
A:ASP152
|
3.6
|
23.9
|
1.0
|
O
|
A:HIS170
|
4.0
|
27.4
|
1.0
|
O
|
A:HOH538
|
4.0
|
23.5
|
1.0
|
O
|
A:ASP152
|
4.1
|
25.1
|
1.0
|
CA
|
A:GLY10
|
4.2
|
25.1
|
1.0
|
O
|
A:HOH770
|
4.2
|
61.0
|
1.0
|
OG
|
A:SER153
|
4.3
|
33.5
|
1.0
|
OE2
|
A:GLU15
|
4.3
|
31.8
|
1.0
|
OD1
|
A:ASP152
|
4.4
|
23.9
|
1.0
|
O
|
A:HOH785
|
4.5
|
64.3
|
1.0
|
C
|
A:ASP152
|
4.6
|
25.0
|
1.0
|
O
|
A:GLY10
|
4.6
|
25.7
|
1.0
|
O
|
A:HOH759
|
4.7
|
57.0
|
1.0
|
O
|
A:HOH657
|
4.7
|
37.6
|
1.0
|
CA
|
A:ASP152
|
4.8
|
24.6
|
1.0
|
C
|
A:GLY10
|
4.8
|
26.2
|
1.0
|
C
|
A:HIS170
|
5.0
|
27.6
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 1rkv
Go back to
Magnesium Binding Sites List in 1rkv
Magnesium binding site 3 out
of 4 in the Structure of Phosphate Complex of Thrh From Pseudomonas Aeruginosa
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Structure of Phosphate Complex of Thrh From Pseudomonas Aeruginosa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg403
b:29.5
occ:1.00
|
OD2
|
B:ASP7
|
2.1
|
29.1
|
1.0
|
O
|
B:GLU9
|
2.1
|
23.6
|
1.0
|
OD1
|
B:ASP152
|
2.1
|
26.7
|
1.0
|
O
|
B:HOH542
|
2.2
|
25.1
|
1.0
|
O
|
B:HOH552
|
2.3
|
27.4
|
1.0
|
O2
|
B:PO4321
|
2.3
|
32.6
|
1.0
|
CG
|
B:ASP7
|
3.1
|
26.4
|
1.0
|
CG
|
B:ASP152
|
3.1
|
28.3
|
1.0
|
C
|
B:GLU9
|
3.2
|
24.3
|
1.0
|
OD2
|
B:ASP152
|
3.4
|
30.9
|
1.0
|
OD1
|
B:ASP7
|
3.5
|
28.4
|
1.0
|
P
|
B:PO4321
|
3.8
|
43.2
|
1.0
|
CA
|
B:GLU9
|
3.9
|
23.0
|
1.0
|
OD2
|
B:ASP156
|
4.0
|
29.3
|
1.0
|
N
|
B:GLU9
|
4.1
|
21.2
|
1.0
|
CB
|
B:GLU9
|
4.1
|
23.7
|
1.0
|
O
|
B:HOH701
|
4.2
|
43.1
|
1.0
|
N
|
B:GLY10
|
4.2
|
22.4
|
1.0
|
OG
|
B:SER153
|
4.3
|
39.1
|
1.0
|
OE2
|
B:GLU15
|
4.3
|
45.8
|
1.0
|
O1
|
B:PO4321
|
4.3
|
31.7
|
1.0
|
O3
|
B:PO4321
|
4.4
|
34.7
|
1.0
|
CB
|
B:ASP7
|
4.4
|
23.9
|
1.0
|
CA
|
B:GLY10
|
4.4
|
25.5
|
1.0
|
CB
|
B:ASP152
|
4.4
|
26.4
|
1.0
|
N
|
B:ASP152
|
4.7
|
24.0
|
1.0
|
O4
|
B:PO4321
|
4.8
|
40.6
|
1.0
|
OD1
|
B:ASN155
|
4.9
|
46.4
|
1.0
|
C
|
B:LEU8
|
4.9
|
21.4
|
1.0
|
N
|
B:VAL11
|
4.9
|
26.8
|
1.0
|
CG
|
B:ASP156
|
4.9
|
28.2
|
1.0
|
CG2
|
B:VAL11
|
4.9
|
22.1
|
1.0
|
OD1
|
B:ASP156
|
4.9
|
28.3
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 1rkv
Go back to
Magnesium Binding Sites List in 1rkv
Magnesium binding site 4 out
of 4 in the Structure of Phosphate Complex of Thrh From Pseudomonas Aeruginosa
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Structure of Phosphate Complex of Thrh From Pseudomonas Aeruginosa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg404
b:55.5
occ:1.00
|
OD2
|
B:ASP152
|
2.5
|
30.9
|
1.0
|
O
|
B:HIS170
|
3.1
|
31.7
|
1.0
|
CG
|
B:ASP152
|
3.4
|
28.3
|
1.0
|
CB
|
B:ASP152
|
3.6
|
26.4
|
1.0
|
CA
|
B:GLY10
|
4.0
|
25.5
|
1.0
|
C
|
B:HIS170
|
4.2
|
31.0
|
1.0
|
CB
|
B:HIS170
|
4.2
|
32.9
|
1.0
|
O
|
B:ASP152
|
4.3
|
29.5
|
1.0
|
O
|
B:GLY10
|
4.4
|
29.2
|
1.0
|
OD1
|
B:ASP152
|
4.6
|
26.7
|
1.0
|
C
|
B:GLY10
|
4.6
|
26.0
|
1.0
|
O
|
B:HOH552
|
4.8
|
27.4
|
1.0
|
CA
|
B:ASP152
|
4.9
|
26.6
|
1.0
|
C
|
B:ASP152
|
4.9
|
28.6
|
1.0
|
OE2
|
B:GLU15
|
4.9
|
45.8
|
1.0
|
CA
|
B:HIS170
|
4.9
|
31.0
|
1.0
|
|
Reference:
S.K.Singh,
K.Yang,
S.Karthikeyan,
T.Huynh,
X.Zhang,
M.A.Phillips,
H.Zhang.
The Thrh Gene Product of Pseudomonas Aeruginosa Is A Dual Activity Enzyme with A Novel Phosphoserine:Homoserine Phosphotransferase Activity. J.Biol.Chem. V. 279 13166 2004.
ISSN: ISSN 0021-9258
PubMed: 14699121
DOI: 10.1074/JBC.M311393200
Page generated: Tue Aug 13 13:01:47 2024
|