Magnesium in PDB 7drp: Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp
Protein crystallography data
The structure of Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp, PDB code: 7drp
was solved by
I.Song,
J.Yu,
W.Song,
S.Kim,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
33.19 /
2.98
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
89.587,
91.656,
98.198,
90,
101.31,
90
|
R / Rfree (%)
|
20.7 /
21
|
Other elements in 7drp:
The structure of Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp
(pdb code 7drp). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the
Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp, PDB code: 7drp:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Magnesium binding site 1 out
of 8 in 7drp
Go back to
Magnesium Binding Sites List in 7drp
Magnesium binding site 1 out
of 8 in the Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg402
b:48.3
occ:1.00
|
OD2
|
A:ASP269
|
2.1
|
57.4
|
1.0
|
O2B
|
A:ADP401
|
2.1
|
61.3
|
1.0
|
O1A
|
A:ADP401
|
2.3
|
57.9
|
1.0
|
OE2
|
A:GLU282
|
2.5
|
59.8
|
1.0
|
CG
|
A:ASP269
|
3.1
|
58.4
|
1.0
|
PB
|
A:ADP401
|
3.4
|
64.0
|
1.0
|
PA
|
A:ADP401
|
3.5
|
56.6
|
1.0
|
O3A
|
A:ADP401
|
3.6
|
59.0
|
1.0
|
CD
|
A:GLU282
|
3.7
|
60.6
|
1.0
|
C5'
|
A:ADP401
|
3.9
|
59.0
|
1.0
|
OD1
|
A:ASP269
|
3.9
|
57.7
|
1.0
|
CB
|
A:ASP269
|
4.0
|
54.8
|
1.0
|
O1B
|
A:ADP401
|
4.1
|
62.5
|
1.0
|
O5'
|
A:ADP401
|
4.2
|
57.5
|
1.0
|
CG
|
A:GLU282
|
4.2
|
59.5
|
1.0
|
ND2
|
A:ASN284
|
4.4
|
60.2
|
1.0
|
NH1
|
A:ARG213
|
4.5
|
60.5
|
1.0
|
O3B
|
A:ADP401
|
4.6
|
61.5
|
1.0
|
OD1
|
A:ASN284
|
4.6
|
61.4
|
1.0
|
OE1
|
A:GLU282
|
4.7
|
60.7
|
1.0
|
MG
|
A:MG403
|
4.7
|
67.3
|
1.0
|
O2A
|
A:ADP401
|
4.8
|
57.8
|
1.0
|
CG
|
A:ASN284
|
4.9
|
59.9
|
1.0
|
|
Magnesium binding site 2 out
of 8 in 7drp
Go back to
Magnesium Binding Sites List in 7drp
Magnesium binding site 2 out
of 8 in the Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg403
b:67.3
occ:1.00
|
OD1
|
A:ASN284
|
2.6
|
61.4
|
1.0
|
OE1
|
A:GLU282
|
2.6
|
60.7
|
1.0
|
OE2
|
A:GLU282
|
2.8
|
59.8
|
1.0
|
O1B
|
A:ADP401
|
2.9
|
62.5
|
1.0
|
CD
|
A:GLU282
|
3.0
|
60.6
|
1.0
|
CG
|
A:ASN284
|
3.8
|
59.9
|
1.0
|
PB
|
A:ADP401
|
4.1
|
64.0
|
1.0
|
O2B
|
A:ADP401
|
4.2
|
61.3
|
1.0
|
NZ
|
A:LYS133
|
4.3
|
64.8
|
1.0
|
OXT
|
E:GLU25
|
4.4
|
75.5
|
1.0
|
CG
|
A:GLU282
|
4.4
|
59.5
|
1.0
|
CB
|
E:GLU25
|
4.5
|
71.2
|
1.0
|
C
|
E:GLU25
|
4.5
|
76.0
|
1.0
|
ND2
|
A:ASN284
|
4.5
|
60.2
|
1.0
|
O
|
E:GLU25
|
4.6
|
75.9
|
1.0
|
CE
|
A:LYS133
|
4.6
|
61.4
|
1.0
|
MG
|
A:MG402
|
4.7
|
48.3
|
1.0
|
O3A
|
A:ADP401
|
4.8
|
59.0
|
1.0
|
CB
|
A:ASN284
|
4.8
|
58.3
|
1.0
|
|
Magnesium binding site 3 out
of 8 in 7drp
Go back to
Magnesium Binding Sites List in 7drp
Magnesium binding site 3 out
of 8 in the Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg402
b:68.9
occ:1.00
|
O3B
|
B:ADP401
|
1.9
|
78.6
|
1.0
|
OD2
|
B:ASP269
|
2.0
|
70.5
|
1.0
|
O2A
|
B:ADP401
|
2.4
|
74.3
|
1.0
|
OE2
|
B:GLU282
|
2.6
|
83.3
|
1.0
|
PB
|
B:ADP401
|
3.2
|
77.3
|
1.0
|
CG
|
B:ASP269
|
3.2
|
73.3
|
1.0
|
PA
|
B:ADP401
|
3.5
|
73.8
|
1.0
|
O3A
|
B:ADP401
|
3.6
|
75.5
|
1.0
|
CD
|
B:GLU282
|
3.7
|
79.8
|
1.0
|
O2B
|
B:ADP401
|
3.9
|
79.5
|
1.0
|
C5'
|
B:ADP401
|
4.0
|
72.3
|
1.0
|
OD1
|
B:ASP269
|
4.1
|
72.0
|
1.0
|
CB
|
B:ASP269
|
4.1
|
74.8
|
1.0
|
CG
|
B:GLU282
|
4.2
|
76.7
|
1.0
|
MG
|
B:MG403
|
4.3
|
69.1
|
1.0
|
O5'
|
B:ADP401
|
4.3
|
73.9
|
1.0
|
O1B
|
B:ADP401
|
4.4
|
77.0
|
1.0
|
ND2
|
B:ASN284
|
4.6
|
74.9
|
1.0
|
OE1
|
B:GLU282
|
4.7
|
80.5
|
1.0
|
O1A
|
B:ADP401
|
4.7
|
74.7
|
1.0
|
NH2
|
B:ARG213
|
4.8
|
89.3
|
1.0
|
OD1
|
B:ASN284
|
5.0
|
74.1
|
1.0
|
|
Magnesium binding site 4 out
of 8 in 7drp
Go back to
Magnesium Binding Sites List in 7drp
Magnesium binding site 4 out
of 8 in the Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg403
b:69.1
occ:1.00
|
OE1
|
B:GLU282
|
2.3
|
80.5
|
1.0
|
OE2
|
B:GLU282
|
2.4
|
83.3
|
1.0
|
O2B
|
B:ADP401
|
2.5
|
79.5
|
1.0
|
OD1
|
B:ASN284
|
2.6
|
74.1
|
1.0
|
CD
|
B:GLU282
|
2.7
|
79.8
|
1.0
|
PB
|
B:ADP401
|
3.7
|
77.3
|
1.0
|
CG
|
B:ASN284
|
3.8
|
73.1
|
1.0
|
O3B
|
B:ADP401
|
3.8
|
78.6
|
1.0
|
NZ
|
B:LYS133
|
4.0
|
68.8
|
1.0
|
CG
|
B:GLU282
|
4.2
|
76.7
|
1.0
|
MG
|
B:MG402
|
4.3
|
68.9
|
1.0
|
ND2
|
B:ASN284
|
4.4
|
74.9
|
1.0
|
O3A
|
B:ADP401
|
4.4
|
75.5
|
1.0
|
CE
|
B:LYS133
|
4.4
|
66.8
|
1.0
|
O1B
|
B:ADP401
|
4.9
|
77.0
|
1.0
|
CB
|
B:GLU282
|
5.0
|
72.0
|
1.0
|
|
Magnesium binding site 5 out
of 8 in 7drp
Go back to
Magnesium Binding Sites List in 7drp
Magnesium binding site 5 out
of 8 in the Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg402
b:50.7
occ:1.00
|
O3B
|
C:ADP401
|
2.1
|
56.4
|
1.0
|
OD2
|
C:ASP269
|
2.1
|
54.4
|
1.0
|
O2A
|
C:ADP401
|
2.5
|
59.5
|
1.0
|
OE1
|
C:GLU282
|
2.6
|
58.6
|
1.0
|
CG
|
C:ASP269
|
3.2
|
53.5
|
1.0
|
PB
|
C:ADP401
|
3.5
|
58.7
|
1.0
|
PA
|
C:ADP401
|
3.7
|
56.6
|
1.0
|
CD
|
C:GLU282
|
3.8
|
59.5
|
1.0
|
O3A
|
C:ADP401
|
3.8
|
58.1
|
1.0
|
C5'
|
C:ADP401
|
4.0
|
55.1
|
1.0
|
CB
|
C:ASP269
|
4.1
|
52.4
|
1.0
|
OD1
|
C:ASP269
|
4.1
|
54.4
|
1.0
|
MG
|
C:MG403
|
4.2
|
62.1
|
1.0
|
ND2
|
C:ASN284
|
4.3
|
52.8
|
1.0
|
OE2
|
C:GLU282
|
4.3
|
58.8
|
1.0
|
O1B
|
C:ADP401
|
4.3
|
56.6
|
1.0
|
OD1
|
C:ASN284
|
4.3
|
57.2
|
1.0
|
OE1
|
F:GLU25
|
4.4
|
56.5
|
1.0
|
O5'
|
C:ADP401
|
4.4
|
55.2
|
1.0
|
O2B
|
C:ADP401
|
4.5
|
65.0
|
1.0
|
NH2
|
C:ARG213
|
4.5
|
56.0
|
1.0
|
CG
|
C:ASN284
|
4.8
|
54.2
|
1.0
|
CG
|
C:GLU282
|
4.9
|
60.1
|
1.0
|
O1A
|
C:ADP401
|
4.9
|
57.5
|
1.0
|
O3'
|
C:ADP401
|
5.0
|
60.5
|
1.0
|
|
Magnesium binding site 6 out
of 8 in 7drp
Go back to
Magnesium Binding Sites List in 7drp
Magnesium binding site 6 out
of 8 in the Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg403
b:62.1
occ:1.00
|
OE2
|
C:GLU282
|
2.0
|
58.8
|
1.0
|
O1B
|
C:ADP401
|
2.4
|
56.6
|
1.0
|
OD1
|
C:ASN284
|
2.8
|
57.2
|
1.0
|
CD
|
C:GLU282
|
3.0
|
59.5
|
1.0
|
O3B
|
C:ADP401
|
3.2
|
56.4
|
1.0
|
OE1
|
C:GLU282
|
3.2
|
58.6
|
1.0
|
PB
|
C:ADP401
|
3.3
|
58.7
|
1.0
|
CG
|
C:ASN284
|
4.0
|
54.2
|
1.0
|
NZ
|
C:LYS133
|
4.2
|
48.3
|
1.0
|
MG
|
C:MG402
|
4.2
|
50.7
|
1.0
|
CG
|
C:GLU282
|
4.3
|
60.1
|
1.0
|
O3A
|
C:ADP401
|
4.3
|
58.1
|
1.0
|
O2B
|
C:ADP401
|
4.5
|
65.0
|
1.0
|
CB
|
F:GLU25
|
4.5
|
59.2
|
1.0
|
ND2
|
C:ASN284
|
4.7
|
52.8
|
1.0
|
CE
|
C:LYS133
|
4.7
|
47.1
|
1.0
|
OXT
|
F:GLU25
|
4.8
|
71.4
|
1.0
|
OE1
|
F:GLU25
|
4.9
|
56.5
|
1.0
|
C
|
F:GLU25
|
4.9
|
66.9
|
1.0
|
|
Magnesium binding site 7 out
of 8 in 7drp
Go back to
Magnesium Binding Sites List in 7drp
Magnesium binding site 7 out
of 8 in the Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg402
b:72.3
occ:1.00
|
OD2
|
D:ASP269
|
2.0
|
74.4
|
1.0
|
O1B
|
D:ADP401
|
2.1
|
78.2
|
1.0
|
O1A
|
D:ADP401
|
2.3
|
78.2
|
1.0
|
OE2
|
D:GLU282
|
2.3
|
76.3
|
1.0
|
CG
|
D:ASP269
|
2.9
|
74.6
|
1.0
|
PB
|
D:ADP401
|
3.3
|
77.3
|
1.0
|
CD
|
D:GLU282
|
3.4
|
74.8
|
1.0
|
PA
|
D:ADP401
|
3.4
|
77.5
|
1.0
|
O3A
|
D:ADP401
|
3.5
|
76.8
|
1.0
|
OD1
|
D:ASP269
|
3.7
|
74.9
|
1.0
|
CB
|
D:ASP269
|
3.8
|
75.0
|
1.0
|
CG
|
D:GLU282
|
3.8
|
73.5
|
1.0
|
MG
|
D:MG403
|
3.8
|
66.1
|
1.0
|
OD1
|
D:ASN284
|
3.9
|
70.2
|
1.0
|
O3B
|
D:ADP401
|
3.9
|
76.2
|
1.0
|
C5'
|
D:ADP401
|
3.9
|
75.7
|
1.0
|
O5'
|
D:ADP401
|
4.2
|
76.8
|
1.0
|
OE1
|
D:GLU282
|
4.4
|
75.2
|
1.0
|
O2B
|
D:ADP401
|
4.5
|
77.7
|
1.0
|
O2A
|
D:ADP401
|
4.7
|
80.1
|
1.0
|
CG
|
D:ASN284
|
4.7
|
68.3
|
1.0
|
ND2
|
D:ASN284
|
4.7
|
68.6
|
1.0
|
NH1
|
D:ARG213
|
4.7
|
76.2
|
1.0
|
|
Magnesium binding site 8 out
of 8 in 7drp
Go back to
Magnesium Binding Sites List in 7drp
Magnesium binding site 8 out
of 8 in the Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg403
b:66.1
occ:1.00
|
OE2
|
D:GLU282
|
2.0
|
76.3
|
1.0
|
ND2
|
D:ASN284
|
2.1
|
68.6
|
1.0
|
OE1
|
D:GLU282
|
2.4
|
75.2
|
1.0
|
CD
|
D:GLU282
|
2.5
|
74.8
|
1.0
|
O3B
|
D:ADP401
|
2.7
|
76.2
|
1.0
|
CG
|
D:ASN284
|
3.1
|
68.3
|
1.0
|
OD1
|
D:ASN284
|
3.4
|
70.2
|
1.0
|
PB
|
D:ADP401
|
3.8
|
77.3
|
1.0
|
O1B
|
D:ADP401
|
3.8
|
78.2
|
1.0
|
MG
|
D:MG402
|
3.8
|
72.3
|
1.0
|
CG
|
D:GLU282
|
3.9
|
73.5
|
1.0
|
NZ
|
D:LYS133
|
4.1
|
73.2
|
1.0
|
O3A
|
D:ADP401
|
4.3
|
76.8
|
1.0
|
CB
|
D:ASN284
|
4.5
|
66.8
|
1.0
|
CE
|
D:LYS133
|
4.5
|
71.7
|
1.0
|
OD2
|
D:ASP269
|
4.7
|
74.4
|
1.0
|
CB
|
D:GLU282
|
4.8
|
70.6
|
1.0
|
CA
|
D:ASN284
|
4.9
|
65.2
|
1.0
|
|
Reference:
I.Song,
Y.Kim,
J.Yu,
S.Go,
H.Lee,
W.Song,
S.Kim.
Molecular Mechanism Underlying Substrate Recognition of the Peptide Macrocyclase Psnb To Be Published.
Page generated: Wed Oct 2 16:01:13 2024
|