Zinc in PDB 1mm7: Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate in A Zinc Crystal Form at 1.65 Angstroms Resolution
Protein crystallography data
The structure of Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate in A Zinc Crystal Form at 1.65 Angstroms Resolution, PDB code: 1mm7
was solved by
R.Jin,
M.Horning,
M.L.Mayer,
E.Gouaux,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.85 /
1.65
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
113.912,
163.453,
47.336,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20.4 /
23.7
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate in A Zinc Crystal Form at 1.65 Angstroms Resolution
(pdb code 1mm7). 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 the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate in A Zinc Crystal Form at 1.65 Angstroms Resolution, PDB code: 1mm7:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
Zinc binding site 1 out
of 5 in 1mm7
Go back to
Zinc Binding Sites List in 1mm7
Zinc binding site 1 out
of 5 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate in A Zinc Crystal Form at 1.65 Angstroms Resolution
 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 the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate in A Zinc Crystal Form at 1.65 Angstroms Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn901
b:18.1
occ:1.00
|
OE2
|
B:GLU166
|
1.9
|
14.3
|
1.0
|
OE1
|
A:GLU42
|
1.9
|
16.9
|
1.0
|
NE2
|
A:HIS46
|
2.1
|
13.0
|
1.0
|
O
|
A:HOH923
|
2.2
|
16.6
|
1.0
|
CD
|
B:GLU166
|
2.6
|
15.7
|
1.0
|
OE1
|
B:GLU166
|
2.7
|
16.8
|
1.0
|
CD
|
A:GLU42
|
2.9
|
14.8
|
1.0
|
CD2
|
A:HIS46
|
3.0
|
13.0
|
1.0
|
CE1
|
A:HIS46
|
3.1
|
14.7
|
1.0
|
OE2
|
A:GLU42
|
3.2
|
14.4
|
1.0
|
CD2
|
A:LEU241
|
4.0
|
10.4
|
1.0
|
CG
|
B:GLU166
|
4.1
|
15.7
|
1.0
|
ND1
|
A:HIS46
|
4.2
|
14.7
|
1.0
|
CG
|
A:HIS46
|
4.2
|
13.1
|
1.0
|
CG
|
A:GLU42
|
4.2
|
11.8
|
1.0
|
N
|
B:SER168
|
4.3
|
14.2
|
1.0
|
O
|
B:ALA165
|
4.6
|
13.0
|
1.0
|
CB
|
A:GLU42
|
4.7
|
10.1
|
1.0
|
CB
|
B:GLU166
|
4.7
|
14.0
|
1.0
|
CB
|
B:SER168
|
4.8
|
13.1
|
1.0
|
O
|
B:HOH1142
|
4.9
|
31.7
|
1.0
|
CA
|
B:GLU166
|
4.9
|
14.7
|
1.0
|
CA
|
B:SER168
|
4.9
|
12.7
|
1.0
|
CA
|
B:PRO167
|
5.0
|
12.4
|
1.0
|
C
|
B:PRO167
|
5.0
|
14.2
|
1.0
|
CD2
|
A:LEU246
|
5.0
|
17.9
|
1.0
|
|
Zinc binding site 2 out
of 5 in 1mm7
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Zinc Binding Sites List in 1mm7
Zinc binding site 2 out
of 5 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate in A Zinc Crystal Form at 1.65 Angstroms Resolution
 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 the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate in A Zinc Crystal Form at 1.65 Angstroms Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn902
b:25.0
occ:1.00
|
NE2
|
B:HIS23
|
2.0
|
17.5
|
1.0
|
OE2
|
B:GLU30
|
2.0
|
28.4
|
1.0
|
O
|
B:HOH1082
|
2.5
|
24.4
|
1.0
|
CD
|
B:GLU30
|
2.8
|
23.1
|
1.0
|
CE1
|
B:HIS23
|
2.9
|
17.1
|
1.0
|
CD2
|
B:HIS23
|
3.0
|
17.5
|
1.0
|
OE1
|
B:GLU30
|
3.0
|
20.3
|
1.0
|
CD
|
B:LYS20
|
4.0
|
17.5
|
1.0
|
ND1
|
B:HIS23
|
4.0
|
18.6
|
1.0
|
NZ
|
B:LYS20
|
4.1
|
18.0
|
1.0
|
CG
|
B:HIS23
|
4.1
|
19.4
|
1.0
|
CG
|
B:GLU30
|
4.3
|
22.7
|
1.0
|
O
|
B:GLU30
|
4.4
|
19.5
|
1.0
|
CD1
|
B:LEU26
|
4.6
|
32.4
|
1.0
|
CE
|
B:LYS20
|
4.7
|
16.0
|
1.0
|
|
Zinc binding site 3 out
of 5 in 1mm7
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Zinc Binding Sites List in 1mm7
Zinc binding site 3 out
of 5 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate in A Zinc Crystal Form at 1.65 Angstroms Resolution
 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 the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate in A Zinc Crystal Form at 1.65 Angstroms Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn904
b:17.4
occ:1.00
|
OE1
|
B:GLU42
|
2.0
|
16.6
|
1.0
|
NE2
|
B:HIS46
|
2.0
|
13.1
|
1.0
|
O
|
B:HOH1036
|
2.1
|
15.2
|
1.0
|
CD
|
B:GLU42
|
2.9
|
16.5
|
1.0
|
CE1
|
B:HIS46
|
2.9
|
14.6
|
1.0
|
CD2
|
B:HIS46
|
3.0
|
14.0
|
1.0
|
OE2
|
B:GLU42
|
3.2
|
19.5
|
1.0
|
NZ
|
B:LYS45
|
3.5
|
24.1
|
1.0
|
CD2
|
B:LEU241
|
3.6
|
14.0
|
1.0
|
CE
|
B:LYS45
|
3.6
|
21.5
|
1.0
|
OE1
|
B:GLN244
|
3.7
|
32.1
|
1.0
|
ND1
|
B:HIS46
|
4.1
|
15.5
|
1.0
|
O
|
B:HOH1057
|
4.1
|
27.7
|
1.0
|
O
|
B:HOH1084
|
4.1
|
26.5
|
1.0
|
CG
|
B:HIS46
|
4.2
|
12.9
|
1.0
|
CG
|
B:GLU42
|
4.3
|
12.2
|
1.0
|
CB
|
B:GLU42
|
4.6
|
9.9
|
1.0
|
CD
|
B:GLN244
|
4.7
|
32.6
|
1.0
|
CG
|
B:LEU246
|
4.9
|
17.5
|
1.0
|
|
Zinc binding site 4 out
of 5 in 1mm7
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Zinc Binding Sites List in 1mm7
Zinc binding site 4 out
of 5 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate in A Zinc Crystal Form at 1.65 Angstroms Resolution
 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 the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate in A Zinc Crystal Form at 1.65 Angstroms Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn903
b:23.3
occ:1.00
|
OD2
|
C:ASP65
|
2.1
|
18.5
|
1.0
|
O
|
C:HOH1052
|
2.2
|
30.5
|
1.0
|
CG
|
C:ASP65
|
2.8
|
19.8
|
1.0
|
OD1
|
C:ASP65
|
2.8
|
19.8
|
1.0
|
OD2
|
C:ASP67
|
4.0
|
43.4
|
1.0
|
CB
|
C:ASP67
|
4.2
|
34.0
|
1.0
|
CB
|
C:ASP65
|
4.2
|
18.0
|
1.0
|
O
|
C:HOH1068
|
4.6
|
39.1
|
1.0
|
CG
|
C:ASP67
|
4.6
|
40.4
|
1.0
|
N
|
C:ASP67
|
5.0
|
28.6
|
1.0
|
|
Zinc binding site 5 out
of 5 in 1mm7
Go back to
Zinc Binding Sites List in 1mm7
Zinc binding site 5 out
of 5 in the Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate in A Zinc Crystal Form at 1.65 Angstroms Resolution
 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 the GLUR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate in A Zinc Crystal Form at 1.65 Angstroms Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn905
b:46.5
occ:1.00
|
OE1
|
C:GLU42
|
2.3
|
28.3
|
1.0
|
O
|
C:HOH1030
|
2.8
|
39.3
|
1.0
|
NE2
|
C:HIS46
|
2.8
|
32.2
|
1.0
|
CD2
|
C:HIS46
|
3.2
|
29.3
|
1.0
|
CD
|
C:GLU42
|
3.4
|
29.5
|
1.0
|
OE1
|
C:GLN244
|
3.7
|
34.5
|
1.0
|
CD2
|
C:LEU241
|
3.9
|
16.6
|
1.0
|
OE2
|
C:GLU42
|
3.9
|
34.1
|
1.0
|
CE1
|
C:HIS46
|
4.0
|
31.8
|
1.0
|
CD
|
C:GLN244
|
4.5
|
33.6
|
1.0
|
NE2
|
C:GLN244
|
4.5
|
33.7
|
1.0
|
CG
|
C:HIS46
|
4.6
|
28.0
|
1.0
|
CG
|
C:GLU42
|
4.7
|
26.5
|
1.0
|
CB
|
C:GLU42
|
4.8
|
21.1
|
1.0
|
ND1
|
C:HIS46
|
4.9
|
31.1
|
1.0
|
|
Reference:
R.Jin,
M.Horning,
M.L.Mayer,
E.Gouaux.
Mechanism of Activation and Selectivity in A Ligand-Gated Ion Channel: Structural and Functional Studies of GLUR2 and Quisqualate Biochemistry V. 41 15635 2003.
ISSN: ISSN 0006-2960
PubMed: 12501192
DOI: 10.1021/BI020583K
Page generated: Wed Oct 16 16:59:38 2024
|