Zinc in PDB 5tin: Crystal Structure of Human Glycine Receptor Alpha-3 Mutant N38Q Bound to Am-3607
Protein crystallography data
The structure of Crystal Structure of Human Glycine Receptor Alpha-3 Mutant N38Q Bound to Am-3607, PDB code: 5tin
was solved by
P.L.Shaffer,
X.Huang,
H.Chen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.00 /
2.61
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
136.301,
136.787,
192.495,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.4 /
21.4
|
Other elements in 5tin:
The structure of Crystal Structure of Human Glycine Receptor Alpha-3 Mutant N38Q Bound to Am-3607 also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Human Glycine Receptor Alpha-3 Mutant N38Q Bound to Am-3607
(pdb code 5tin). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the
Crystal Structure of Human Glycine Receptor Alpha-3 Mutant N38Q Bound to Am-3607, PDB code: 5tin:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
Zinc binding site 1 out
of 5 in 5tin
Go back to
Zinc Binding Sites List in 5tin
Zinc binding site 1 out
of 5 in the Crystal Structure of Human Glycine Receptor Alpha-3 Mutant N38Q Bound to Am-3607
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Crystal Structure of Human Glycine Receptor Alpha-3 Mutant N38Q Bound to Am-3607 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn403
b:71.4
occ:0.50
|
OD1
|
A:ASP194
|
2.1
|
76.6
|
1.0
|
OE2
|
A:GLU192
|
2.4
|
92.7
|
1.0
|
NE2
|
A:HIS215
|
2.6
|
60.8
|
1.0
|
CG
|
A:ASP194
|
2.8
|
68.5
|
1.0
|
OD2
|
A:ASP194
|
2.8
|
71.2
|
1.0
|
CD2
|
A:HIS215
|
3.2
|
60.4
|
1.0
|
CD
|
A:GLU192
|
3.4
|
94.7
|
1.0
|
CE1
|
A:HIS215
|
3.6
|
61.6
|
1.0
|
OE1
|
A:GLU192
|
4.1
|
97.9
|
1.0
|
CB
|
A:ASP194
|
4.2
|
61.2
|
1.0
|
CG
|
A:HIS215
|
4.3
|
58.1
|
1.0
|
ND1
|
A:HIS215
|
4.5
|
60.9
|
1.0
|
CG
|
A:GLU192
|
4.5
|
87.6
|
1.0
|
N
|
A:ASP194
|
4.5
|
58.4
|
1.0
|
O
|
A:GLU192
|
4.6
|
67.8
|
1.0
|
CA
|
A:ASP194
|
4.8
|
56.6
|
1.0
|
CB
|
A:GLU192
|
5.0
|
79.2
|
1.0
|
|
Zinc binding site 2 out
of 5 in 5tin
Go back to
Zinc Binding Sites List in 5tin
Zinc binding site 2 out
of 5 in the Crystal Structure of Human Glycine Receptor Alpha-3 Mutant N38Q Bound to Am-3607
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Crystal Structure of Human Glycine Receptor Alpha-3 Mutant N38Q Bound to Am-3607 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn403
b:72.3
occ:0.50
|
OE2
|
B:GLU192
|
2.3
|
92.3
|
1.0
|
OD1
|
B:ASP194
|
2.3
|
75.7
|
1.0
|
NE2
|
B:HIS215
|
2.6
|
65.3
|
1.0
|
CG
|
B:ASP194
|
3.0
|
67.9
|
1.0
|
OD2
|
B:ASP194
|
3.0
|
71.4
|
1.0
|
CD2
|
B:HIS215
|
3.1
|
62.9
|
1.0
|
CD
|
B:GLU192
|
3.4
|
95.6
|
1.0
|
CE1
|
B:HIS215
|
3.5
|
64.0
|
1.0
|
OE1
|
B:GLU192
|
4.0
|
0.2
|
1.0
|
CG
|
B:HIS215
|
4.2
|
57.6
|
1.0
|
ND1
|
B:HIS215
|
4.4
|
62.2
|
1.0
|
CG
|
B:GLU192
|
4.4
|
88.9
|
1.0
|
O
|
B:GLU192
|
4.5
|
65.6
|
1.0
|
CB
|
B:ASP194
|
4.5
|
60.7
|
1.0
|
N
|
B:ASP194
|
4.6
|
54.9
|
1.0
|
CB
|
B:GLU192
|
4.8
|
80.2
|
1.0
|
CA
|
B:ASP194
|
5.0
|
55.6
|
1.0
|
C
|
B:GLU192
|
5.0
|
66.6
|
1.0
|
|
Zinc binding site 3 out
of 5 in 5tin
Go back to
Zinc Binding Sites List in 5tin
Zinc binding site 3 out
of 5 in the Crystal Structure of Human Glycine Receptor Alpha-3 Mutant N38Q Bound to Am-3607
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Crystal Structure of Human Glycine Receptor Alpha-3 Mutant N38Q Bound to Am-3607 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn403
b:76.7
occ:0.50
|
OE2
|
C:GLU192
|
2.2
|
0.1
|
1.0
|
OD1
|
C:ASP194
|
2.2
|
74.0
|
1.0
|
NE2
|
C:HIS215
|
2.6
|
61.5
|
1.0
|
CG
|
C:ASP194
|
3.0
|
67.4
|
1.0
|
OD2
|
C:ASP194
|
3.0
|
73.3
|
1.0
|
CD2
|
C:HIS215
|
3.1
|
59.2
|
1.0
|
CD
|
C:GLU192
|
3.3
|
0.6
|
1.0
|
CE1
|
C:HIS215
|
3.6
|
61.8
|
1.0
|
OE1
|
C:GLU192
|
3.9
|
0.3
|
1.0
|
CG
|
C:HIS215
|
4.2
|
55.2
|
1.0
|
CG
|
C:GLU192
|
4.3
|
97.0
|
1.0
|
O
|
C:GLU192
|
4.4
|
67.4
|
1.0
|
CB
|
C:ASP194
|
4.4
|
61.1
|
1.0
|
ND1
|
C:HIS215
|
4.5
|
59.7
|
1.0
|
N
|
C:ASP194
|
4.5
|
58.5
|
1.0
|
CB
|
C:GLU192
|
4.8
|
84.6
|
1.0
|
C
|
C:GLU192
|
4.9
|
69.7
|
1.0
|
CA
|
C:ASP194
|
4.9
|
57.1
|
1.0
|
|
Zinc binding site 4 out
of 5 in 5tin
Go back to
Zinc Binding Sites List in 5tin
Zinc binding site 4 out
of 5 in the Crystal Structure of Human Glycine Receptor Alpha-3 Mutant N38Q Bound to Am-3607
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Crystal Structure of Human Glycine Receptor Alpha-3 Mutant N38Q Bound to Am-3607 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn403
b:73.2
occ:0.50
|
OE2
|
D:GLU192
|
2.1
|
98.6
|
1.0
|
OD1
|
D:ASP194
|
2.1
|
84.9
|
1.0
|
NE2
|
D:HIS215
|
2.6
|
65.4
|
1.0
|
CG
|
D:ASP194
|
2.9
|
78.4
|
1.0
|
CD2
|
D:HIS215
|
3.1
|
65.0
|
1.0
|
OD2
|
D:ASP194
|
3.1
|
87.2
|
1.0
|
CD
|
D:GLU192
|
3.2
|
98.3
|
1.0
|
CE1
|
D:HIS215
|
3.7
|
66.5
|
1.0
|
OE1
|
D:GLU192
|
3.9
|
0.4
|
1.0
|
CG
|
D:GLU192
|
4.1
|
90.1
|
1.0
|
O
|
D:GLU192
|
4.2
|
73.2
|
1.0
|
CG
|
D:HIS215
|
4.2
|
61.3
|
1.0
|
CB
|
D:ASP194
|
4.3
|
70.6
|
1.0
|
N
|
D:ASP194
|
4.4
|
63.6
|
1.0
|
ND1
|
D:HIS215
|
4.5
|
64.1
|
1.0
|
CB
|
D:GLU192
|
4.6
|
81.5
|
1.0
|
C
|
D:GLU192
|
4.7
|
70.3
|
1.0
|
CA
|
D:ASP194
|
4.7
|
64.1
|
1.0
|
C
|
D:LYS193
|
4.8
|
62.0
|
1.0
|
|
Zinc binding site 5 out
of 5 in 5tin
Go back to
Zinc Binding Sites List in 5tin
Zinc binding site 5 out
of 5 in the Crystal Structure of Human Glycine Receptor Alpha-3 Mutant N38Q Bound to Am-3607
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Crystal Structure of Human Glycine Receptor Alpha-3 Mutant N38Q Bound to Am-3607 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn404
b:89.5
occ:0.50
|
OE2
|
E:GLU192
|
2.0
|
0.0
|
1.0
|
OD1
|
E:ASP194
|
2.3
|
78.7
|
1.0
|
O
|
E:HOH532
|
2.3
|
60.8
|
1.0
|
NE2
|
E:HIS215
|
2.6
|
75.2
|
1.0
|
CD2
|
E:HIS215
|
3.0
|
73.3
|
1.0
|
CD
|
E:GLU192
|
3.1
|
0.2
|
1.0
|
CG
|
E:ASP194
|
3.1
|
77.4
|
1.0
|
OD2
|
E:ASP194
|
3.3
|
78.5
|
1.0
|
CE1
|
E:HIS215
|
3.7
|
73.7
|
1.0
|
OE1
|
E:GLU192
|
3.8
|
0.1
|
1.0
|
O
|
E:GLU192
|
4.0
|
80.5
|
1.0
|
CG
|
E:GLU192
|
4.0
|
98.4
|
1.0
|
CG
|
E:HIS215
|
4.1
|
69.7
|
1.0
|
CB
|
E:GLU192
|
4.4
|
92.2
|
1.0
|
N
|
E:ASP194
|
4.4
|
70.3
|
1.0
|
ND1
|
E:HIS215
|
4.5
|
71.6
|
1.0
|
CB
|
E:ASP194
|
4.5
|
72.4
|
1.0
|
C
|
E:GLU192
|
4.5
|
81.4
|
1.0
|
CA
|
E:ASP194
|
4.9
|
69.5
|
1.0
|
C
|
E:LYS193
|
4.9
|
71.5
|
1.0
|
|
Reference:
X.Huang,
P.L.Shaffer,
S.Ayube,
H.Bregman,
H.Chen,
S.G.Lehto,
J.A.Luther,
D.J.Matson,
S.I.Mcdonough,
K.Michelsen,
M.M.Plant,
S.Schneider,
J.R.Simard,
Y.Teffera,
S.Yi,
M.Zhang,
E.F.Dimauro,
J.Gingras.
Crystal Structures of Human GLYRA3 Bound to A Novel Class of Potentiators with Efficacy in A Mouse Model of Neuropathic Pain To Be Published.
Page generated: Mon Oct 28 08:34:25 2024
|