Magnesium in PDB 5e79: Macromolecular Diffractive Imaging Using Imperfect Crystals
Enzymatic activity of Macromolecular Diffractive Imaging Using Imperfect Crystals
All present enzymatic activity of Macromolecular Diffractive Imaging Using Imperfect Crystals:
1.10.3.9;
Protein crystallography data
The structure of Macromolecular Diffractive Imaging Using Imperfect Crystals, PDB code: 5e79
was solved by
K.Ayyer,
O.Yefanov,
D.Oberthur,
S.Roy-Chowdhury,
L.Galli,
V.Mariani,
S.Basu,
J.Coe,
C.E.Conrad,
R.Fromme,
A.Schaffer,
K.Dorner,
D.James,
C.Kupitz,
M.Metz,
G.Nelson,
P.L.Xavier,
K.R.Beyerlein,
M.Schmidt,
I.Sarrou,
J.C.H.Spence,
U.Weierstall,
T.A.White,
J.-H.Yang,
Y.Zhao,
M.Liang,
A.Aquila,
M.S.Hunter,
J.E.Koglin,
S.Boutet,
P.Fromme,
A.Barty,
H.N.Chapman,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.98 /
3.50
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
250.800,
250.800,
250.800,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
32.4 /
33.1
|
Other elements in 5e79:
The structure of Macromolecular Diffractive Imaging Using Imperfect Crystals also contains other interesting chemical elements:
Magnesium Binding Sites:
Magnesium binding site 1 out
of 74 in 5e79
Go back to
Magnesium Binding Sites List in 5e79
Magnesium binding site 1 out
of 74 in the Macromolecular Diffractive Imaging Using Imperfect Crystals
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Macromolecular Diffractive Imaging Using Imperfect Crystals within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg606
b:61.6
occ:1.00
|
MG
|
A:CLA606
|
0.0
|
61.6
|
1.0
|
ND
|
A:CLA606
|
1.9
|
59.3
|
1.0
|
NB
|
A:CLA606
|
1.9
|
59.1
|
1.0
|
NA
|
A:CLA606
|
2.0
|
59.5
|
1.0
|
NC
|
A:CLA606
|
2.0
|
59.5
|
1.0
|
C4D
|
A:CLA606
|
2.8
|
59.9
|
1.0
|
C1B
|
A:CLA606
|
2.9
|
59.4
|
1.0
|
C1C
|
A:CLA606
|
3.0
|
58.6
|
1.0
|
C1D
|
A:CLA606
|
3.0
|
59.1
|
1.0
|
C1A
|
A:CLA606
|
3.1
|
60.5
|
1.0
|
C4A
|
A:CLA606
|
3.1
|
59.5
|
1.0
|
C4B
|
A:CLA606
|
3.1
|
59.4
|
1.0
|
CE1
|
A:HIS198
|
3.1
|
59.0
|
1.0
|
C4C
|
A:CLA606
|
3.1
|
57.8
|
1.0
|
CHA
|
A:CLA606
|
3.4
|
59.4
|
1.0
|
CHB
|
A:CLA606
|
3.4
|
58.8
|
1.0
|
CHC
|
A:CLA606
|
3.4
|
58.3
|
1.0
|
CE
|
A:MET183
|
3.5
|
58.0
|
1.0
|
CHD
|
A:CLA606
|
3.5
|
59.8
|
1.0
|
NE2
|
A:HIS198
|
3.7
|
60.6
|
1.0
|
C3D
|
A:CLA606
|
4.0
|
58.8
|
1.0
|
C2D
|
A:CLA606
|
4.0
|
59.8
|
1.0
|
CAB
|
D:CLA403
|
4.1
|
58.3
|
1.0
|
C2B
|
A:CLA606
|
4.1
|
59.5
|
1.0
|
C3B
|
A:CLA606
|
4.2
|
58.0
|
1.0
|
C2C
|
A:CLA606
|
4.2
|
56.4
|
1.0
|
ND1
|
A:HIS198
|
4.2
|
59.7
|
1.0
|
C2A
|
A:CLA606
|
4.2
|
59.1
|
1.0
|
C3C
|
A:CLA606
|
4.2
|
57.8
|
1.0
|
C3A
|
A:CLA606
|
4.3
|
60.6
|
1.0
|
CBB
|
D:CLA403
|
4.7
|
57.6
|
1.0
|
CBD
|
A:CLA606
|
4.7
|
60.2
|
1.0
|
CHC
|
D:CLA403
|
4.8
|
57.0
|
1.0
|
CAA
|
A:CLA606
|
4.9
|
60.4
|
1.0
|
CMA
|
A:CLA606
|
4.9
|
60.6
|
1.0
|
C3B
|
D:CLA403
|
4.9
|
57.6
|
1.0
|
CAC
|
D:CLA402
|
5.0
|
59.2
|
1.0
|
|
Magnesium binding site 2 out
of 74 in 5e79
Go back to
Magnesium Binding Sites List in 5e79
Magnesium binding site 2 out
of 74 in the Macromolecular Diffractive Imaging Using Imperfect Crystals
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Macromolecular Diffractive Imaging Using Imperfect Crystals within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg607
b:62.1
occ:1.00
|
MG
|
A:CLA607
|
0.0
|
62.1
|
1.0
|
ND
|
A:CLA607
|
1.9
|
61.4
|
1.0
|
NB
|
A:CLA607
|
2.0
|
62.6
|
1.0
|
NA
|
A:CLA607
|
2.0
|
61.9
|
1.0
|
NC
|
A:CLA607
|
2.0
|
60.8
|
1.0
|
C4D
|
A:CLA607
|
2.8
|
61.8
|
1.0
|
C1B
|
A:CLA607
|
2.9
|
62.2
|
1.0
|
C1C
|
A:CLA607
|
2.9
|
61.5
|
1.0
|
C1D
|
A:CLA607
|
2.9
|
60.5
|
1.0
|
C4A
|
A:CLA607
|
3.1
|
61.6
|
1.0
|
C1A
|
A:CLA607
|
3.1
|
60.9
|
1.0
|
C4C
|
A:CLA607
|
3.1
|
60.2
|
1.0
|
C4B
|
A:CLA607
|
3.1
|
61.7
|
1.0
|
CHA
|
A:CLA607
|
3.4
|
61.4
|
1.0
|
CHB
|
A:CLA607
|
3.4
|
61.5
|
1.0
|
CHD
|
A:CLA607
|
3.4
|
61.4
|
1.0
|
CHC
|
A:CLA607
|
3.4
|
60.3
|
1.0
|
C3D
|
A:CLA607
|
4.0
|
60.1
|
1.0
|
C2D
|
A:CLA607
|
4.1
|
61.1
|
1.0
|
CBB
|
D:PHO401
|
4.1
|
63.9
|
1.0
|
C2B
|
A:CLA607
|
4.2
|
62.2
|
1.0
|
C2C
|
A:CLA607
|
4.2
|
61.2
|
1.0
|
C3B
|
A:CLA607
|
4.2
|
62.6
|
1.0
|
C3C
|
A:CLA607
|
4.2
|
61.7
|
1.0
|
C2A
|
A:CLA607
|
4.3
|
61.3
|
1.0
|
C3A
|
A:CLA607
|
4.3
|
61.9
|
1.0
|
CG2
|
D:ILE178
|
4.4
|
60.2
|
1.0
|
CBA
|
A:CLA607
|
4.5
|
62.7
|
1.0
|
CG1
|
D:ILE178
|
4.7
|
60.3
|
1.0
|
C20
|
D:PHO401
|
4.8
|
59.9
|
1.0
|
CBD
|
A:CLA607
|
4.8
|
61.9
|
1.0
|
CB
|
D:ILE178
|
5.0
|
60.5
|
1.0
|
|
Magnesium binding site 3 out
of 74 in 5e79
Go back to
Magnesium Binding Sites List in 5e79
Magnesium binding site 3 out
of 74 in the Macromolecular Diffractive Imaging Using Imperfect Crystals
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Macromolecular Diffractive Imaging Using Imperfect Crystals within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg609
b:65.0
occ:1.00
|
MG
|
A:CLA609
|
0.0
|
65.0
|
1.0
|
ND
|
A:CLA609
|
1.9
|
64.6
|
1.0
|
NB
|
A:CLA609
|
1.9
|
64.2
|
1.0
|
NA
|
A:CLA609
|
2.0
|
63.9
|
1.0
|
NC
|
A:CLA609
|
2.0
|
65.2
|
1.0
|
NE2
|
A:HIS118
|
2.6
|
63.9
|
1.0
|
C4D
|
A:CLA609
|
2.8
|
63.5
|
1.0
|
C1B
|
A:CLA609
|
2.9
|
63.9
|
1.0
|
C1D
|
A:CLA609
|
3.0
|
62.6
|
1.0
|
C1C
|
A:CLA609
|
3.0
|
63.7
|
1.0
|
C4B
|
A:CLA609
|
3.1
|
64.2
|
1.0
|
C4A
|
A:CLA609
|
3.1
|
63.5
|
1.0
|
C1A
|
A:CLA609
|
3.1
|
64.1
|
1.0
|
C4C
|
A:CLA609
|
3.1
|
63.8
|
1.0
|
CHA
|
A:CLA609
|
3.4
|
62.6
|
1.0
|
CHB
|
A:CLA609
|
3.4
|
62.6
|
1.0
|
CHC
|
A:CLA609
|
3.4
|
64.9
|
1.0
|
CHD
|
A:CLA609
|
3.5
|
62.5
|
1.0
|
CE1
|
A:HIS118
|
3.5
|
65.5
|
1.0
|
CD2
|
A:HIS118
|
3.6
|
64.5
|
1.0
|
C3D
|
A:CLA609
|
4.0
|
62.4
|
1.0
|
C2D
|
A:CLA609
|
4.1
|
62.9
|
1.0
|
C2B
|
A:CLA609
|
4.1
|
63.9
|
1.0
|
CG1
|
I:VAL8
|
4.2
|
71.5
|
1.0
|
C3B
|
A:CLA609
|
4.2
|
64.8
|
1.0
|
C2C
|
A:CLA609
|
4.2
|
64.2
|
1.0
|
C3C
|
A:CLA609
|
4.2
|
64.3
|
1.0
|
CG2
|
I:VAL12
|
4.3
|
72.2
|
1.0
|
C3A
|
A:CLA609
|
4.3
|
65.0
|
1.0
|
C2A
|
A:CLA609
|
4.3
|
65.2
|
1.0
|
ND1
|
A:HIS118
|
4.6
|
64.2
|
1.0
|
CG
|
A:HIS118
|
4.7
|
64.0
|
1.0
|
CBD
|
A:CLA609
|
4.7
|
64.3
|
1.0
|
|
Magnesium binding site 4 out
of 74 in 5e79
Go back to
Magnesium Binding Sites List in 5e79
Magnesium binding site 4 out
of 74 in the Macromolecular Diffractive Imaging Using Imperfect Crystals
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Macromolecular Diffractive Imaging Using Imperfect Crystals within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg602
b:77.2
occ:1.00
|
MG
|
B:CLA602
|
0.0
|
77.2
|
1.0
|
ND
|
B:CLA602
|
1.9
|
78.8
|
1.0
|
NB
|
B:CLA602
|
2.0
|
76.9
|
1.0
|
NA
|
B:CLA602
|
2.0
|
79.8
|
1.0
|
NC
|
B:CLA602
|
2.0
|
76.4
|
1.0
|
C4D
|
B:CLA602
|
2.8
|
80.6
|
1.0
|
C1B
|
B:CLA602
|
2.9
|
76.7
|
1.0
|
C1C
|
B:CLA602
|
3.0
|
76.6
|
1.0
|
C1D
|
B:CLA602
|
3.0
|
78.7
|
1.0
|
C4B
|
B:CLA602
|
3.1
|
76.5
|
1.0
|
C4A
|
B:CLA602
|
3.1
|
80.1
|
1.0
|
C4C
|
B:CLA602
|
3.1
|
76.3
|
1.0
|
C1A
|
B:CLA602
|
3.2
|
82.3
|
1.0
|
CHB
|
B:CLA602
|
3.4
|
77.8
|
1.0
|
CHA
|
B:CLA602
|
3.4
|
81.5
|
1.0
|
CHC
|
B:CLA602
|
3.5
|
76.1
|
1.0
|
CHD
|
B:CLA602
|
3.5
|
77.7
|
1.0
|
O
|
B:TRP185
|
3.6
|
74.4
|
1.0
|
C10
|
B:CLA602
|
4.0
|
0.7
|
1.0
|
C3D
|
B:CLA602
|
4.0
|
80.5
|
1.0
|
C2D
|
B:CLA602
|
4.1
|
79.4
|
1.0
|
C2B
|
B:CLA602
|
4.2
|
75.6
|
1.0
|
C3B
|
B:CLA602
|
4.2
|
75.5
|
1.0
|
C2C
|
B:CLA602
|
4.2
|
75.4
|
1.0
|
C3C
|
B:CLA602
|
4.3
|
76.0
|
1.0
|
C3A
|
B:CLA602
|
4.3
|
81.8
|
1.0
|
C12
|
B:CLA602
|
4.3
|
0.2
|
1.0
|
C2A
|
B:CLA602
|
4.4
|
83.7
|
1.0
|
CE2
|
B:PHE190
|
4.6
|
71.9
|
1.0
|
CZ
|
B:PHE190
|
4.7
|
72.4
|
1.0
|
C8
|
B:CLA602
|
4.7
|
0.0
|
1.0
|
CBB
|
B:CLA603
|
4.8
|
70.3
|
1.0
|
C11
|
B:CLA602
|
4.8
|
0.3
|
1.0
|
CBD
|
B:CLA602
|
4.8
|
82.9
|
1.0
|
C
|
B:TRP185
|
4.8
|
74.0
|
1.0
|
|
Magnesium binding site 5 out
of 74 in 5e79
Go back to
Magnesium Binding Sites List in 5e79
Magnesium binding site 5 out
of 74 in the Macromolecular Diffractive Imaging Using Imperfect Crystals
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Macromolecular Diffractive Imaging Using Imperfect Crystals within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg603
b:69.2
occ:1.00
|
MG
|
B:CLA603
|
0.0
|
69.2
|
1.0
|
ND
|
B:CLA603
|
1.9
|
66.4
|
1.0
|
NB
|
B:CLA603
|
2.0
|
68.7
|
1.0
|
NA
|
B:CLA603
|
2.0
|
67.7
|
1.0
|
NC
|
B:CLA603
|
2.0
|
68.7
|
1.0
|
ND1
|
B:HIS201
|
2.7
|
67.2
|
1.0
|
C4D
|
B:CLA603
|
2.8
|
66.1
|
1.0
|
C1B
|
B:CLA603
|
2.9
|
68.7
|
1.0
|
C1C
|
B:CLA603
|
3.0
|
68.7
|
1.0
|
C1D
|
B:CLA603
|
3.0
|
66.9
|
1.0
|
C4A
|
B:CLA603
|
3.1
|
68.5
|
1.0
|
C1A
|
B:CLA603
|
3.1
|
67.6
|
1.0
|
C4C
|
B:CLA603
|
3.1
|
68.0
|
1.0
|
C4B
|
B:CLA603
|
3.1
|
69.2
|
1.0
|
CZ
|
H:PHE41
|
3.3
|
70.3
|
1.0
|
CHB
|
B:CLA603
|
3.4
|
67.9
|
1.0
|
CHA
|
B:CLA603
|
3.4
|
65.9
|
1.0
|
CE1
|
B:HIS201
|
3.4
|
67.5
|
1.0
|
CHC
|
B:CLA603
|
3.5
|
68.7
|
1.0
|
CHD
|
B:CLA603
|
3.5
|
66.9
|
1.0
|
CG
|
B:HIS201
|
3.8
|
66.5
|
1.0
|
CE2
|
H:PHE41
|
3.9
|
68.5
|
1.0
|
C3D
|
B:CLA603
|
4.0
|
66.6
|
1.0
|
C2D
|
B:CLA603
|
4.1
|
66.5
|
1.0
|
CB
|
B:HIS201
|
4.1
|
67.0
|
1.0
|
C2B
|
B:CLA603
|
4.1
|
69.1
|
1.0
|
C2C
|
B:CLA603
|
4.2
|
68.6
|
1.0
|
C3B
|
B:CLA603
|
4.2
|
69.0
|
1.0
|
C2A
|
B:CLA603
|
4.3
|
67.2
|
1.0
|
C3A
|
B:CLA603
|
4.3
|
67.3
|
1.0
|
C3C
|
B:CLA603
|
4.3
|
67.8
|
1.0
|
CE1
|
H:PHE41
|
4.4
|
68.7
|
1.0
|
CA
|
B:HIS201
|
4.6
|
67.1
|
1.0
|
CE1
|
B:PHE190
|
4.6
|
70.9
|
1.0
|
NE2
|
B:HIS201
|
4.7
|
68.5
|
1.0
|
CBD
|
B:CLA603
|
4.8
|
66.1
|
1.0
|
CD2
|
B:HIS201
|
4.8
|
66.2
|
1.0
|
CD1
|
B:PHE190
|
4.9
|
70.1
|
1.0
|
CAA
|
B:CLA603
|
4.9
|
66.1
|
1.0
|
CMA
|
B:CLA603
|
4.9
|
67.1
|
1.0
|
|
Magnesium binding site 6 out
of 74 in 5e79
Go back to
Magnesium Binding Sites List in 5e79
Magnesium binding site 6 out
of 74 in the Macromolecular Diffractive Imaging Using Imperfect Crystals
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Macromolecular Diffractive Imaging Using Imperfect Crystals within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg604
b:64.9
occ:1.00
|
MG
|
B:CLA604
|
0.0
|
64.9
|
1.0
|
ND
|
B:CLA604
|
1.9
|
64.2
|
1.0
|
NB
|
B:CLA604
|
1.9
|
62.8
|
1.0
|
NA
|
B:CLA604
|
2.0
|
63.6
|
1.0
|
NC
|
B:CLA604
|
2.0
|
63.4
|
1.0
|
NE2
|
B:HIS202
|
2.7
|
65.5
|
1.0
|
C4D
|
B:CLA604
|
2.8
|
62.5
|
1.0
|
C1B
|
B:CLA604
|
2.9
|
62.2
|
1.0
|
C1D
|
B:CLA604
|
2.9
|
63.3
|
1.0
|
C1C
|
B:CLA604
|
3.0
|
62.2
|
1.0
|
C4A
|
B:CLA604
|
3.0
|
63.5
|
1.0
|
C4B
|
B:CLA604
|
3.1
|
62.2
|
1.0
|
C1A
|
B:CLA604
|
3.1
|
63.3
|
1.0
|
C4C
|
B:CLA604
|
3.1
|
62.3
|
1.0
|
CHB
|
B:CLA604
|
3.3
|
62.7
|
1.0
|
CHA
|
B:CLA604
|
3.4
|
62.6
|
1.0
|
CD2
|
B:HIS202
|
3.4
|
66.9
|
1.0
|
CHD
|
B:CLA604
|
3.4
|
63.0
|
1.0
|
CHC
|
B:CLA604
|
3.5
|
62.0
|
1.0
|
CE1
|
B:HIS202
|
3.8
|
67.3
|
1.0
|
C3D
|
B:CLA604
|
4.0
|
62.7
|
1.0
|
C6
|
B:CLA606
|
4.0
|
72.3
|
1.0
|
C2D
|
B:CLA604
|
4.1
|
63.6
|
1.0
|
C4
|
B:CLA606
|
4.1
|
72.3
|
1.0
|
C2B
|
B:CLA604
|
4.1
|
61.3
|
1.0
|
C3B
|
B:CLA604
|
4.2
|
61.6
|
1.0
|
C7
|
B:CLA606
|
4.2
|
73.1
|
1.0
|
C2C
|
B:CLA604
|
4.2
|
61.6
|
1.0
|
C3A
|
B:CLA604
|
4.3
|
64.0
|
1.0
|
C3C
|
B:CLA604
|
4.3
|
62.1
|
1.0
|
C2A
|
B:CLA604
|
4.3
|
63.7
|
1.0
|
C5
|
B:CLA606
|
4.4
|
71.6
|
1.0
|
C3
|
B:CLA606
|
4.5
|
72.5
|
1.0
|
CG
|
B:HIS202
|
4.7
|
66.5
|
1.0
|
CBD
|
B:CLA604
|
4.8
|
64.7
|
1.0
|
C9
|
B:CLA606
|
4.8
|
73.5
|
1.0
|
CBA
|
B:CLA604
|
4.8
|
63.0
|
1.0
|
ND1
|
B:HIS202
|
4.8
|
66.6
|
1.0
|
NE2
|
B:HIS201
|
4.9
|
68.5
|
1.0
|
|
Magnesium binding site 7 out
of 74 in 5e79
Go back to
Magnesium Binding Sites List in 5e79
Magnesium binding site 7 out
of 74 in the Macromolecular Diffractive Imaging Using Imperfect Crystals
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Macromolecular Diffractive Imaging Using Imperfect Crystals within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg605
b:63.1
occ:1.00
|
MG
|
B:CLA605
|
0.0
|
63.1
|
1.0
|
ND
|
B:CLA605
|
1.9
|
62.7
|
1.0
|
NB
|
B:CLA605
|
2.0
|
63.4
|
1.0
|
NA
|
B:CLA605
|
2.0
|
62.9
|
1.0
|
NC
|
B:CLA605
|
2.0
|
62.6
|
1.0
|
NE2
|
B:HIS455
|
2.8
|
59.1
|
1.0
|
C4D
|
B:CLA605
|
2.8
|
62.7
|
1.0
|
C1B
|
B:CLA605
|
2.9
|
61.7
|
1.0
|
C1D
|
B:CLA605
|
3.0
|
62.3
|
1.0
|
C1C
|
B:CLA605
|
3.0
|
62.7
|
1.0
|
C4A
|
B:CLA605
|
3.1
|
62.2
|
1.0
|
C4B
|
B:CLA605
|
3.1
|
62.4
|
1.0
|
C4C
|
B:CLA605
|
3.1
|
62.7
|
1.0
|
C1A
|
B:CLA605
|
3.1
|
62.5
|
1.0
|
CHB
|
B:CLA605
|
3.4
|
61.8
|
1.0
|
CHA
|
B:CLA605
|
3.4
|
62.5
|
1.0
|
CHD
|
B:CLA605
|
3.5
|
61.6
|
1.0
|
CHC
|
B:CLA605
|
3.5
|
62.4
|
1.0
|
CD2
|
B:HIS455
|
3.5
|
59.3
|
1.0
|
CE1
|
B:HIS455
|
3.9
|
58.9
|
1.0
|
C3D
|
B:CLA605
|
4.0
|
61.9
|
1.0
|
C2D
|
B:CLA605
|
4.1
|
63.8
|
1.0
|
C14
|
B:CLA613
|
4.1
|
71.2
|
1.0
|
C2B
|
B:CLA605
|
4.1
|
63.0
|
1.0
|
C3B
|
B:CLA605
|
4.2
|
63.4
|
1.0
|
C2C
|
B:CLA605
|
4.2
|
62.3
|
1.0
|
C3C
|
B:CLA605
|
4.3
|
61.8
|
1.0
|
C3A
|
B:CLA605
|
4.3
|
63.3
|
1.0
|
C2A
|
B:CLA605
|
4.3
|
63.1
|
1.0
|
C13
|
B:CLA613
|
4.7
|
72.0
|
1.0
|
CG
|
B:HIS455
|
4.7
|
59.1
|
1.0
|
CBD
|
B:CLA605
|
4.8
|
63.3
|
1.0
|
C15
|
B:CLA613
|
4.8
|
71.1
|
1.0
|
ND1
|
B:HIS455
|
4.9
|
59.8
|
1.0
|
|
Magnesium binding site 8 out
of 74 in 5e79
Go back to
Magnesium Binding Sites List in 5e79
Magnesium binding site 8 out
of 74 in the Macromolecular Diffractive Imaging Using Imperfect Crystals
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Macromolecular Diffractive Imaging Using Imperfect Crystals within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg606
b:64.3
occ:1.00
|
MG
|
B:CLA606
|
0.0
|
64.3
|
1.0
|
ND
|
B:CLA606
|
1.9
|
64.5
|
1.0
|
NB
|
B:CLA606
|
2.0
|
64.3
|
1.0
|
NA
|
B:CLA606
|
2.0
|
63.5
|
1.0
|
NC
|
B:CLA606
|
2.0
|
65.2
|
1.0
|
C4D
|
B:CLA606
|
2.8
|
63.4
|
1.0
|
NE2
|
B:HIS100
|
2.9
|
61.4
|
1.0
|
C1B
|
B:CLA606
|
2.9
|
64.5
|
1.0
|
C1C
|
B:CLA606
|
3.0
|
64.5
|
1.0
|
C1D
|
B:CLA606
|
3.0
|
63.4
|
1.0
|
C4A
|
B:CLA606
|
3.1
|
65.3
|
1.0
|
C1A
|
B:CLA606
|
3.1
|
63.1
|
1.0
|
C4B
|
B:CLA606
|
3.1
|
65.5
|
1.0
|
C4C
|
B:CLA606
|
3.1
|
65.2
|
1.0
|
C1
|
B:CLA605
|
3.3
|
73.7
|
1.0
|
CHA
|
B:CLA606
|
3.4
|
63.0
|
1.0
|
CHB
|
B:CLA606
|
3.4
|
64.1
|
1.0
|
CHC
|
B:CLA606
|
3.4
|
63.5
|
1.0
|
CHD
|
B:CLA606
|
3.5
|
63.7
|
1.0
|
C2
|
B:CLA605
|
3.6
|
77.3
|
1.0
|
CE1
|
B:HIS100
|
3.8
|
63.0
|
1.0
|
CD2
|
B:HIS100
|
3.8
|
61.5
|
1.0
|
C3D
|
B:CLA606
|
4.0
|
63.0
|
1.0
|
C2D
|
B:CLA606
|
4.1
|
63.6
|
1.0
|
C2B
|
B:CLA606
|
4.2
|
64.4
|
1.0
|
C2C
|
B:CLA606
|
4.2
|
63.3
|
1.0
|
C3B
|
B:CLA606
|
4.2
|
65.1
|
1.0
|
C3C
|
B:CLA606
|
4.3
|
63.9
|
1.0
|
C3A
|
B:CLA606
|
4.3
|
63.5
|
1.0
|
C2A
|
B:CLA606
|
4.3
|
64.2
|
1.0
|
O2A
|
B:CLA605
|
4.5
|
69.8
|
1.0
|
O1A
|
B:CLA605
|
4.6
|
66.2
|
1.0
|
CBA
|
B:CLA606
|
4.6
|
64.2
|
1.0
|
C3
|
B:CLA605
|
4.7
|
79.8
|
1.0
|
CBD
|
B:CLA606
|
4.8
|
63.4
|
1.0
|
ND1
|
B:HIS100
|
4.9
|
63.3
|
1.0
|
CGA
|
B:CLA605
|
5.0
|
67.0
|
1.0
|
CG
|
B:HIS100
|
5.0
|
62.5
|
1.0
|
|
Magnesium binding site 9 out
of 74 in 5e79
Go back to
Magnesium Binding Sites List in 5e79
Magnesium binding site 9 out
of 74 in the Macromolecular Diffractive Imaging Using Imperfect Crystals
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Macromolecular Diffractive Imaging Using Imperfect Crystals within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg607
b:68.4
occ:0.54
|
MG
|
B:CLA607
|
0.0
|
68.4
|
0.5
|
MG
|
B:CLA607
|
0.1
|
66.9
|
0.5
|
ND
|
B:CLA607
|
1.9
|
69.4
|
0.5
|
ND
|
B:CLA607
|
1.9
|
67.9
|
0.5
|
NB
|
B:CLA607
|
1.9
|
66.1
|
0.5
|
NB
|
B:CLA607
|
2.0
|
67.7
|
0.5
|
NA
|
B:CLA607
|
2.0
|
66.0
|
0.5
|
NA
|
B:CLA607
|
2.0
|
67.5
|
0.5
|
NC
|
B:CLA607
|
2.0
|
67.1
|
0.5
|
NC
|
B:CLA607
|
2.0
|
68.6
|
0.5
|
C4D
|
B:CLA607
|
2.8
|
69.8
|
0.5
|
C4D
|
B:CLA607
|
2.8
|
68.5
|
0.5
|
C1B
|
B:CLA607
|
2.9
|
65.4
|
0.5
|
C1B
|
B:CLA607
|
2.9
|
66.9
|
0.5
|
C1C
|
B:CLA607
|
3.0
|
67.3
|
0.5
|
C1D
|
B:CLA607
|
3.0
|
69.8
|
0.5
|
C1C
|
B:CLA607
|
3.0
|
68.8
|
0.5
|
C1D
|
B:CLA607
|
3.0
|
68.3
|
0.5
|
ND1
|
B:HIS157
|
3.0
|
66.4
|
1.0
|
C4A
|
B:CLA607
|
3.1
|
65.6
|
0.5
|
C4A
|
B:CLA607
|
3.1
|
67.2
|
0.5
|
C1A
|
B:CLA607
|
3.1
|
67.8
|
0.5
|
C4B
|
B:CLA607
|
3.1
|
66.1
|
0.5
|
C1A
|
B:CLA607
|
3.1
|
66.3
|
0.5
|
C4B
|
B:CLA607
|
3.1
|
67.6
|
0.5
|
C4C
|
B:CLA607
|
3.1
|
69.4
|
0.5
|
C4C
|
B:CLA607
|
3.1
|
68.0
|
0.5
|
CHB
|
B:CLA607
|
3.4
|
64.7
|
0.5
|
CHB
|
B:CLA607
|
3.4
|
66.3
|
0.5
|
CHA
|
B:CLA607
|
3.4
|
68.9
|
0.5
|
CHA
|
B:CLA607
|
3.4
|
67.7
|
0.5
|
CHC
|
B:CLA607
|
3.5
|
67.0
|
0.5
|
CHD
|
B:CLA607
|
3.5
|
69.5
|
0.5
|
CHC
|
B:CLA607
|
3.5
|
68.5
|
0.5
|
CHD
|
B:CLA607
|
3.5
|
67.9
|
0.5
|
CE1
|
B:HIS157
|
3.7
|
68.5
|
1.0
|
C3D
|
B:CLA607
|
4.0
|
70.2
|
0.5
|
C3D
|
B:CLA607
|
4.0
|
68.9
|
0.5
|
C2D
|
B:CLA607
|
4.1
|
70.4
|
0.5
|
C2D
|
B:CLA607
|
4.1
|
68.9
|
0.5
|
CG
|
B:HIS157
|
4.1
|
67.8
|
1.0
|
C2B
|
B:CLA607
|
4.1
|
65.5
|
0.5
|
C2B
|
B:CLA607
|
4.1
|
67.0
|
0.5
|
C3B
|
B:CLA607
|
4.2
|
65.5
|
0.5
|
C3B
|
B:CLA607
|
4.2
|
67.0
|
0.5
|
C2C
|
B:CLA607
|
4.2
|
67.6
|
0.5
|
C2C
|
B:CLA607
|
4.2
|
69.1
|
0.5
|
C3C
|
B:CLA607
|
4.3
|
67.8
|
0.5
|
C3A
|
B:CLA607
|
4.3
|
66.0
|
0.5
|
C3C
|
B:CLA607
|
4.3
|
69.4
|
0.5
|
C3A
|
B:CLA607
|
4.3
|
64.2
|
0.5
|
C2A
|
B:CLA607
|
4.3
|
66.8
|
0.5
|
C2A
|
B:CLA607
|
4.3
|
65.0
|
0.5
|
CB
|
B:HIS157
|
4.5
|
68.4
|
1.0
|
CBA
|
B:CLA607
|
4.6
|
67.2
|
0.5
|
CBA
|
B:CLA607
|
4.7
|
64.7
|
0.5
|
CBD
|
B:CLA607
|
4.8
|
70.6
|
0.5
|
CBD
|
B:CLA607
|
4.8
|
69.4
|
0.5
|
NE2
|
B:HIS157
|
4.9
|
68.8
|
1.0
|
|
Magnesium binding site 10 out
of 74 in 5e79
Go back to
Magnesium Binding Sites List in 5e79
Magnesium binding site 10 out
of 74 in the Macromolecular Diffractive Imaging Using Imperfect Crystals
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Macromolecular Diffractive Imaging Using Imperfect Crystals within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg607
b:66.9
occ:0.46
|
MG
|
B:CLA607
|
0.0
|
66.9
|
0.5
|
MG
|
B:CLA607
|
0.1
|
68.4
|
0.5
|
ND
|
B:CLA607
|
1.9
|
69.4
|
0.5
|
ND
|
B:CLA607
|
1.9
|
67.9
|
0.5
|
NB
|
B:CLA607
|
2.0
|
66.1
|
0.5
|
NB
|
B:CLA607
|
2.0
|
67.7
|
0.5
|
NA
|
B:CLA607
|
2.0
|
66.0
|
0.5
|
NC
|
B:CLA607
|
2.0
|
67.1
|
0.5
|
NA
|
B:CLA607
|
2.0
|
67.5
|
0.5
|
NC
|
B:CLA607
|
2.0
|
68.6
|
0.5
|
C4D
|
B:CLA607
|
2.8
|
69.8
|
0.5
|
C4D
|
B:CLA607
|
2.8
|
68.5
|
0.5
|
C1B
|
B:CLA607
|
2.9
|
65.4
|
0.5
|
C1B
|
B:CLA607
|
2.9
|
66.9
|
0.5
|
C1D
|
B:CLA607
|
3.0
|
69.8
|
0.5
|
C1D
|
B:CLA607
|
3.0
|
68.3
|
0.5
|
C1C
|
B:CLA607
|
3.0
|
67.3
|
0.5
|
C1C
|
B:CLA607
|
3.0
|
68.8
|
0.5
|
C4A
|
B:CLA607
|
3.1
|
65.6
|
0.5
|
ND1
|
B:HIS157
|
3.1
|
66.4
|
1.0
|
C4A
|
B:CLA607
|
3.1
|
67.2
|
0.5
|
C1A
|
B:CLA607
|
3.1
|
67.8
|
0.5
|
C1A
|
B:CLA607
|
3.1
|
66.3
|
0.5
|
C4B
|
B:CLA607
|
3.1
|
66.1
|
0.5
|
C4C
|
B:CLA607
|
3.1
|
69.4
|
0.5
|
C4C
|
B:CLA607
|
3.1
|
68.0
|
0.5
|
C4B
|
B:CLA607
|
3.2
|
67.6
|
0.5
|
CHB
|
B:CLA607
|
3.4
|
64.7
|
0.5
|
CHA
|
B:CLA607
|
3.4
|
68.9
|
0.5
|
CHB
|
B:CLA607
|
3.4
|
66.3
|
0.5
|
CHA
|
B:CLA607
|
3.4
|
67.7
|
0.5
|
CHD
|
B:CLA607
|
3.5
|
69.5
|
0.5
|
CHD
|
B:CLA607
|
3.5
|
67.9
|
0.5
|
CHC
|
B:CLA607
|
3.5
|
67.0
|
0.5
|
CHC
|
B:CLA607
|
3.5
|
68.5
|
0.5
|
CE1
|
B:HIS157
|
3.8
|
68.5
|
1.0
|
C3D
|
B:CLA607
|
4.0
|
70.2
|
0.5
|
C3D
|
B:CLA607
|
4.0
|
68.9
|
0.5
|
C2D
|
B:CLA607
|
4.1
|
70.4
|
0.5
|
C2D
|
B:CLA607
|
4.1
|
68.9
|
0.5
|
C2B
|
B:CLA607
|
4.1
|
65.5
|
0.5
|
C2B
|
B:CLA607
|
4.2
|
67.0
|
0.5
|
C3B
|
B:CLA607
|
4.2
|
65.5
|
0.5
|
C2C
|
B:CLA607
|
4.2
|
67.6
|
0.5
|
CG
|
B:HIS157
|
4.2
|
67.8
|
1.0
|
C3B
|
B:CLA607
|
4.2
|
67.0
|
0.5
|
C2C
|
B:CLA607
|
4.2
|
69.1
|
0.5
|
C3C
|
B:CLA607
|
4.3
|
67.8
|
0.5
|
C3C
|
B:CLA607
|
4.3
|
69.4
|
0.5
|
C2A
|
B:CLA607
|
4.3
|
66.8
|
0.5
|
C3A
|
B:CLA607
|
4.3
|
66.0
|
0.5
|
C3A
|
B:CLA607
|
4.3
|
64.2
|
0.5
|
C2A
|
B:CLA607
|
4.3
|
65.0
|
0.5
|
CBA
|
B:CLA607
|
4.5
|
67.2
|
0.5
|
CB
|
B:HIS157
|
4.6
|
68.4
|
1.0
|
CBA
|
B:CLA607
|
4.6
|
64.7
|
0.5
|
CBD
|
B:CLA607
|
4.8
|
70.6
|
0.5
|
CBD
|
B:CLA607
|
4.8
|
69.4
|
0.5
|
|
Reference:
K.Ayyer,
O.M.Yefanov,
D.Oberthur,
S.Roy-Chowdhury,
L.Galli,
V.Mariani,
S.Basu,
J.Coe,
C.E.Conrad,
R.Fromme,
A.Schaffer,
K.Dorner,
D.James,
C.Kupitz,
M.Metz,
G.Nelson,
P.L.Xavier,
K.R.Beyerlein,
M.Schmidt,
I.Sarrou,
J.C.Spence,
U.Weierstall,
T.A.White,
J.H.Yang,
Y.Zhao,
M.Liang,
A.Aquila,
M.S.Hunter,
J.S.Robinson,
J.E.Koglin,
S.Boutet,
P.Fromme,
A.Barty,
H.N.Chapman.
Macromolecular Diffractive Imaging Using Imperfect Crystals. Nature V. 530 202 2016.
ISSN: ESSN 1476-4687
PubMed: 26863980
DOI: 10.1038/NATURE16949
Page generated: Sun Sep 29 03:32:42 2024
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