Gadolinium in PDB 6yxf: Cryogenic Human Adiponectin Receptor 2 (ADIPOR2) with Gd-DO3 Ligand Determined By Serial Crystallography (Ssx) Using Crystaldirect
Protein crystallography data
The structure of Cryogenic Human Adiponectin Receptor 2 (ADIPOR2) with Gd-DO3 Ligand Determined By Serial Crystallography (Ssx) Using Crystaldirect, PDB code: 6yxf
was solved by
R.D.Healey,
S.Basu,
A.S.Humm,
C.Leyrat,
F.Dupeux,
A.Pica,
S.Granier,
J.A.Marquez,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
48.67 /
3.03
|
Space group
|
P 21 2 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
74.64,
100.65,
111.2,
90,
90,
90
|
R / Rfree (%)
|
21.4 /
25.9
|
Other elements in 6yxf:
The structure of Cryogenic Human Adiponectin Receptor 2 (ADIPOR2) with Gd-DO3 Ligand Determined By Serial Crystallography (Ssx) Using Crystaldirect also contains other interesting chemical elements:
Gadolinium Binding Sites:
The binding sites of Gadolinium atom in the Cryogenic Human Adiponectin Receptor 2 (ADIPOR2) with Gd-DO3 Ligand Determined By Serial Crystallography (Ssx) Using Crystaldirect
(pdb code 6yxf). This binding sites where shown within
5.0 Angstroms radius around Gadolinium atom.
In total 3 binding sites of Gadolinium where determined in the
Cryogenic Human Adiponectin Receptor 2 (ADIPOR2) with Gd-DO3 Ligand Determined By Serial Crystallography (Ssx) Using Crystaldirect, PDB code: 6yxf:
Jump to Gadolinium binding site number:
1;
2;
3;
Gadolinium binding site 1 out
of 3 in 6yxf
Go back to
Gadolinium Binding Sites List in 6yxf
Gadolinium binding site 1 out
of 3 in the Cryogenic Human Adiponectin Receptor 2 (ADIPOR2) with Gd-DO3 Ligand Determined By Serial Crystallography (Ssx) Using Crystaldirect
 Mono view
 Stereo pair view
|
A full contact list of Gadolinium with other atoms in the Gd binding
site number 1 of Cryogenic Human Adiponectin Receptor 2 (ADIPOR2) with Gd-DO3 Ligand Determined By Serial Crystallography (Ssx) Using Crystaldirect within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Gd408
b:278.2
occ:1.00
|
H161
|
A:DO3410
|
1.4
|
149.2
|
1.0
|
N3
|
A:DO3410
|
1.6
|
121.1
|
1.0
|
HC62
|
A:DO3410
|
2.0
|
148.0
|
1.0
|
C5
|
A:DO3410
|
2.1
|
122.2
|
1.0
|
C6
|
A:DO3410
|
2.2
|
123.3
|
1.0
|
C16
|
A:DO3410
|
2.2
|
124.3
|
1.0
|
N4
|
A:DO3410
|
2.4
|
123.8
|
1.0
|
O3
|
A:DO3410
|
2.5
|
110.0
|
1.0
|
O5
|
A:DO3410
|
2.5
|
122.5
|
1.0
|
C14
|
A:DO3410
|
2.5
|
121.6
|
1.0
|
C4
|
A:DO3410
|
2.6
|
120.5
|
1.0
|
N2
|
A:DO3410
|
2.6
|
116.7
|
1.0
|
HC52
|
A:DO3410
|
2.7
|
146.6
|
1.0
|
H162
|
A:DO3410
|
2.7
|
149.2
|
1.0
|
N1
|
A:DO3410
|
2.8
|
121.3
|
1.0
|
C3
|
A:DO3410
|
2.9
|
119.1
|
1.0
|
C13
|
A:DO3410
|
3.0
|
122.0
|
1.0
|
H101
|
A:DO3410
|
3.0
|
145.9
|
1.0
|
C11
|
A:DO3410
|
3.0
|
109.4
|
1.0
|
HC51
|
A:DO3410
|
3.1
|
146.6
|
1.0
|
HC42
|
A:DO3410
|
3.1
|
144.7
|
1.0
|
H141
|
A:DO3410
|
3.2
|
145.9
|
1.0
|
HC61
|
A:DO3410
|
3.2
|
148.0
|
1.0
|
C12
|
A:DO3410
|
3.3
|
112.4
|
1.0
|
HC32
|
A:DO3410
|
3.3
|
142.9
|
1.0
|
C7
|
A:DO3410
|
3.3
|
123.2
|
1.0
|
C8
|
A:DO3410
|
3.3
|
122.3
|
1.0
|
C15
|
A:DO3410
|
3.4
|
124.6
|
1.0
|
H142
|
A:DO3410
|
3.4
|
145.9
|
1.0
|
C10
|
A:DO3410
|
3.4
|
121.6
|
1.0
|
HC41
|
A:DO3410
|
3.5
|
144.7
|
1.0
|
HC82
|
A:DO3410
|
3.6
|
146.8
|
1.0
|
C1
|
A:DO3410
|
3.6
|
119.8
|
1.0
|
HA
|
A:DO3410
|
3.7
|
149.5
|
1.0
|
C2
|
A:DO3410
|
3.7
|
118.1
|
1.0
|
H172
|
A:DO3410
|
3.7
|
149.6
|
1.0
|
HC72
|
A:DO3410
|
3.8
|
147.9
|
1.0
|
O4
|
A:DO3410
|
3.8
|
109.0
|
1.0
|
H102
|
A:DO3410
|
3.8
|
145.9
|
1.0
|
HC12
|
A:DO3410
|
3.9
|
143.8
|
1.0
|
HC52
|
H:DO3303
|
4.0
|
141.9
|
1.0
|
C17
|
A:DO3410
|
4.0
|
124.7
|
1.0
|
HC31
|
A:DO3410
|
4.0
|
142.9
|
1.0
|
H122
|
A:DO3410
|
4.1
|
134.9
|
1.0
|
H121
|
A:DO3410
|
4.1
|
134.9
|
1.0
|
H173
|
A:DO3410
|
4.1
|
149.6
|
1.0
|
O6
|
A:DO3410
|
4.2
|
121.6
|
1.0
|
HC71
|
A:DO3410
|
4.3
|
147.9
|
1.0
|
HC21
|
A:DO3410
|
4.3
|
141.8
|
1.0
|
O
|
A:HOH504
|
4.4
|
121.5
|
1.0
|
HC81
|
A:DO3410
|
4.4
|
146.8
|
1.0
|
O6
|
H:DO3303
|
4.4
|
119.4
|
1.0
|
HC22
|
A:DO3410
|
4.5
|
141.8
|
1.0
|
HO7
|
A:DO3410
|
4.6
|
149.7
|
1.0
|
O7
|
A:DO3410
|
4.6
|
124.7
|
1.0
|
HC11
|
A:DO3410
|
4.7
|
143.8
|
1.0
|
H101
|
H:DO3303
|
4.7
|
141.9
|
1.0
|
HC51
|
H:DO3303
|
4.7
|
141.9
|
1.0
|
C9
|
A:DO3410
|
4.8
|
121.8
|
1.0
|
C5
|
H:DO3303
|
4.9
|
118.3
|
1.0
|
O2
|
H:DO3303
|
4.9
|
119.9
|
1.0
|
|
Gadolinium binding site 2 out
of 3 in 6yxf
Go back to
Gadolinium Binding Sites List in 6yxf
Gadolinium binding site 2 out
of 3 in the Cryogenic Human Adiponectin Receptor 2 (ADIPOR2) with Gd-DO3 Ligand Determined By Serial Crystallography (Ssx) Using Crystaldirect
 Mono view
 Stereo pair view
|
A full contact list of Gadolinium with other atoms in the Gd binding
site number 2 of Cryogenic Human Adiponectin Receptor 2 (ADIPOR2) with Gd-DO3 Ligand Determined By Serial Crystallography (Ssx) Using Crystaldirect within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Gd409
b:300.0
occ:1.00
|
HC42
|
A:DO3411
|
1.9
|
130.2
|
1.0
|
HC51
|
A:DO3411
|
2.0
|
131.6
|
1.0
|
C4
|
A:DO3411
|
2.1
|
108.5
|
1.0
|
N1
|
A:DO3411
|
2.1
|
107.1
|
1.0
|
N2
|
A:DO3411
|
2.1
|
108.6
|
1.0
|
H121
|
A:DO3411
|
2.1
|
131.4
|
1.0
|
C3
|
A:DO3411
|
2.1
|
108.6
|
1.0
|
C5
|
A:DO3411
|
2.3
|
109.6
|
1.0
|
HC31
|
A:DO3411
|
2.3
|
130.3
|
1.0
|
HC62
|
A:DO3411
|
2.3
|
132.6
|
1.0
|
C2
|
A:DO3411
|
2.4
|
107.8
|
1.0
|
HC21
|
A:DO3411
|
2.4
|
129.4
|
1.0
|
N3
|
A:DO3411
|
2.5
|
108.5
|
1.0
|
C12
|
A:DO3411
|
2.5
|
109.5
|
1.0
|
C6
|
A:DO3411
|
2.6
|
110.5
|
1.0
|
C1
|
A:DO3411
|
2.6
|
106.9
|
1.0
|
O1
|
A:DO3411
|
2.7
|
107.6
|
1.0
|
C10
|
A:DO3411
|
3.0
|
107.0
|
1.0
|
N4
|
A:DO3411
|
3.0
|
111.0
|
1.0
|
C8
|
A:DO3411
|
3.1
|
108.2
|
1.0
|
HC41
|
A:DO3411
|
3.1
|
130.2
|
1.0
|
C9
|
A:DO3411
|
3.2
|
107.7
|
1.0
|
HC32
|
A:DO3411
|
3.2
|
130.3
|
1.0
|
H122
|
A:DO3411
|
3.3
|
131.4
|
1.0
|
HC52
|
A:DO3411
|
3.3
|
131.6
|
1.0
|
HC82
|
A:DO3411
|
3.3
|
129.9
|
1.0
|
HC11
|
A:DO3411
|
3.4
|
128.2
|
1.0
|
HC22
|
A:DO3411
|
3.5
|
129.4
|
1.0
|
C7
|
A:DO3411
|
3.5
|
110.0
|
1.0
|
H102
|
A:DO3411
|
3.5
|
128.4
|
1.0
|
HC12
|
A:DO3411
|
3.5
|
128.2
|
1.0
|
OE2
|
A:GLU209
|
3.6
|
91.3
|
1.0
|
HC61
|
A:DO3411
|
3.6
|
132.6
|
1.0
|
C11
|
A:DO3411
|
3.6
|
110.5
|
1.0
|
C14
|
A:DO3411
|
3.9
|
107.9
|
1.0
|
O4
|
A:DO3411
|
3.9
|
110.9
|
1.0
|
H101
|
A:DO3411
|
3.9
|
128.4
|
1.0
|
HC72
|
A:DO3411
|
4.0
|
132.0
|
1.0
|
HC81
|
A:DO3411
|
4.0
|
129.9
|
1.0
|
H172
|
A:DO3411
|
4.1
|
133.5
|
1.0
|
O2
|
A:DO3411
|
4.2
|
108.3
|
1.0
|
CD
|
A:GLU209
|
4.3
|
87.6
|
1.0
|
H141
|
A:DO3411
|
4.3
|
129.4
|
1.0
|
OE1
|
A:GLU209
|
4.3
|
89.3
|
1.0
|
C16
|
A:DO3411
|
4.4
|
111.6
|
1.0
|
H142
|
A:DO3411
|
4.4
|
129.4
|
1.0
|
HC71
|
A:DO3411
|
4.4
|
132.0
|
1.0
|
O3
|
A:DO3411
|
4.7
|
110.7
|
1.0
|
C17
|
A:DO3411
|
4.9
|
111.3
|
1.0
|
C13
|
A:DO3411
|
4.9
|
106.7
|
1.0
|
H162
|
A:DO3411
|
5.0
|
133.9
|
1.0
|
C15
|
A:DO3411
|
5.0
|
111.6
|
1.0
|
|
Gadolinium binding site 3 out
of 3 in 6yxf
Go back to
Gadolinium Binding Sites List in 6yxf
Gadolinium binding site 3 out
of 3 in the Cryogenic Human Adiponectin Receptor 2 (ADIPOR2) with Gd-DO3 Ligand Determined By Serial Crystallography (Ssx) Using Crystaldirect
 Mono view
 Stereo pair view
|
A full contact list of Gadolinium with other atoms in the Gd binding
site number 3 of Cryogenic Human Adiponectin Receptor 2 (ADIPOR2) with Gd-DO3 Ligand Determined By Serial Crystallography (Ssx) Using Crystaldirect within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Gd302
b:190.7
occ:1.00
|
HC21
|
H:DO3303
|
1.3
|
133.2
|
1.0
|
HC51
|
H:DO3303
|
1.5
|
141.9
|
1.0
|
C2
|
H:DO3303
|
1.7
|
111.0
|
1.0
|
HC82
|
A:DO3410
|
1.9
|
146.8
|
1.0
|
H102
|
A:DO3410
|
1.9
|
145.9
|
1.0
|
C1
|
H:DO3303
|
2.2
|
114.0
|
1.0
|
N2
|
H:DO3303
|
2.2
|
110.7
|
1.0
|
N1
|
H:DO3303
|
2.3
|
116.8
|
1.0
|
HC31
|
H:DO3303
|
2.3
|
136.5
|
1.0
|
C5
|
H:DO3303
|
2.4
|
118.3
|
1.0
|
C3
|
H:DO3303
|
2.4
|
113.7
|
1.0
|
HC22
|
H:DO3303
|
2.7
|
133.2
|
1.0
|
HC12
|
H:DO3303
|
2.7
|
136.8
|
1.0
|
N3
|
H:DO3303
|
2.7
|
117.8
|
1.0
|
C8
|
A:DO3410
|
2.7
|
122.3
|
1.0
|
HC81
|
A:DO3410
|
2.8
|
146.8
|
1.0
|
C10
|
A:DO3410
|
2.8
|
121.6
|
1.0
|
C4
|
H:DO3303
|
2.8
|
116.2
|
1.0
|
HC52
|
H:DO3303
|
2.9
|
141.9
|
1.0
|
HC42
|
H:DO3303
|
3.0
|
139.5
|
1.0
|
H101
|
H:DO3303
|
3.1
|
141.9
|
1.0
|
C10
|
H:DO3303
|
3.2
|
118.2
|
1.0
|
HC11
|
H:DO3303
|
3.2
|
136.8
|
1.0
|
N1
|
A:DO3410
|
3.3
|
121.3
|
1.0
|
C8
|
H:DO3303
|
3.5
|
117.5
|
1.0
|
C6
|
H:DO3303
|
3.5
|
118.6
|
1.0
|
HC32
|
H:DO3303
|
3.5
|
136.5
|
1.0
|
O1
|
A:DO3410
|
3.5
|
122.0
|
1.0
|
H101
|
A:DO3410
|
3.6
|
145.9
|
1.0
|
C9
|
A:DO3410
|
3.6
|
121.8
|
1.0
|
H162
|
A:DO3410
|
3.6
|
149.2
|
1.0
|
N4
|
H:DO3303
|
3.6
|
118.9
|
1.0
|
C12
|
H:DO3303
|
3.7
|
110.9
|
1.0
|
HC81
|
H:DO3303
|
3.7
|
141.0
|
1.0
|
HC41
|
H:DO3303
|
3.9
|
139.5
|
1.0
|
H122
|
H:DO3303
|
3.9
|
133.1
|
1.0
|
HC62
|
H:DO3303
|
3.9
|
142.3
|
1.0
|
O2
|
H:DO3303
|
3.9
|
119.9
|
1.0
|
H102
|
H:DO3303
|
4.0
|
141.9
|
1.0
|
C7
|
A:DO3410
|
4.0
|
123.2
|
1.0
|
C9
|
H:DO3303
|
4.1
|
119.5
|
1.0
|
C7
|
H:DO3303
|
4.1
|
118.2
|
1.0
|
C14
|
H:DO3303
|
4.2
|
118.8
|
1.0
|
H121
|
H:DO3303
|
4.2
|
133.1
|
1.0
|
HC71
|
A:DO3410
|
4.3
|
147.9
|
1.0
|
HC82
|
H:DO3303
|
4.3
|
141.0
|
1.0
|
HC61
|
H:DO3303
|
4.4
|
142.3
|
1.0
|
C1
|
A:DO3410
|
4.5
|
119.8
|
1.0
|
HC11
|
A:DO3410
|
4.5
|
143.8
|
1.0
|
HC72
|
H:DO3303
|
4.5
|
141.8
|
1.0
|
C16
|
A:DO3410
|
4.5
|
124.3
|
1.0
|
H141
|
H:DO3303
|
4.6
|
142.5
|
1.0
|
O2
|
A:DO3410
|
4.7
|
121.6
|
1.0
|
HC72
|
A:DO3410
|
4.8
|
147.9
|
1.0
|
O3
|
A:DO3410
|
4.8
|
110.0
|
1.0
|
C11
|
H:DO3303
|
4.8
|
111.8
|
1.0
|
H142
|
H:DO3303
|
4.8
|
142.5
|
1.0
|
O3
|
H:DO3303
|
4.8
|
112.0
|
1.0
|
H161
|
A:DO3410
|
4.8
|
149.2
|
1.0
|
N4
|
A:DO3410
|
4.8
|
123.8
|
1.0
|
C13
|
H:DO3303
|
5.0
|
119.3
|
1.0
|
C16
|
H:DO3303
|
5.0
|
119.7
|
1.0
|
HA
|
H:DO3303
|
5.0
|
144.3
|
1.0
|
|
Reference:
R.D.Healey,
S.Basu,
A.S.Humm,
C.Leyrat,
F.Dupeux,
A.Pica,
S.Granier,
J.A.Marquez.
Rapid, Automated Serial Crystallography Analysis of Membrane Proteins Through Crystaldirect To Be Published.
Page generated: Sat Aug 10 22:19:16 2024
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