Zinc in PDB 3dzy: Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex on Dna Bound with Rosiglitazone, 9-Cis Retinoic Acid and NCOA2 Peptide
Protein crystallography data
The structure of Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex on Dna Bound with Rosiglitazone, 9-Cis Retinoic Acid and NCOA2 Peptide, PDB code: 3dzy
was solved by
V.Chandra,
P.Huang,
Y.Hamuro,
S.Raghuram,
Y.Wang,
T.P.Burris,
F.Rastinejad,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
46.71 /
3.10
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
63.803,
146.514,
67.223,
90.00,
115.59,
90.00
|
R / Rfree (%)
|
21.3 /
26.8
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex on Dna Bound with Rosiglitazone, 9-Cis Retinoic Acid and NCOA2 Peptide
(pdb code 3dzy). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the
Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex on Dna Bound with Rosiglitazone, 9-Cis Retinoic Acid and NCOA2 Peptide, PDB code: 3dzy:
Jump to Zinc binding site number:
1;
2;
3;
4;
Zinc binding site 1 out
of 4 in 3dzy
Go back to
Zinc Binding Sites List in 3dzy
Zinc binding site 1 out
of 4 in the Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex on Dna Bound with Rosiglitazone, 9-Cis Retinoic Acid and NCOA2 Peptide
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex on Dna Bound with Rosiglitazone, 9-Cis Retinoic Acid and NCOA2 Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn7221
b:60.4
occ:1.00
|
SG
|
A:CYS152
|
2.3
|
47.0
|
1.0
|
SG
|
A:CYS135
|
2.4
|
51.8
|
1.0
|
SG
|
A:CYS138
|
2.4
|
51.4
|
1.0
|
SG
|
A:CYS155
|
2.7
|
55.7
|
1.0
|
CB
|
A:CYS152
|
3.1
|
47.0
|
1.0
|
CB
|
A:CYS135
|
3.3
|
51.8
|
1.0
|
CB
|
A:CYS155
|
3.4
|
55.7
|
1.0
|
N
|
A:CYS152
|
3.5
|
47.2
|
1.0
|
CB
|
A:CYS138
|
3.6
|
51.4
|
1.0
|
N
|
A:CYS138
|
3.7
|
82.2
|
1.0
|
NH1
|
A:ARG184
|
3.8
|
50.3
|
1.0
|
CA
|
A:CYS152
|
3.9
|
47.2
|
1.0
|
CA
|
A:CYS138
|
4.3
|
82.2
|
1.0
|
N
|
A:CYS155
|
4.3
|
57.9
|
1.0
|
CB
|
A:ILE137
|
4.3
|
37.0
|
1.0
|
CG2
|
A:ILE137
|
4.4
|
37.0
|
1.0
|
CA
|
A:CYS155
|
4.5
|
57.9
|
1.0
|
O
|
A:CYS152
|
4.6
|
47.2
|
1.0
|
C
|
A:SER151
|
4.6
|
51.8
|
1.0
|
C
|
A:CYS152
|
4.6
|
47.2
|
1.0
|
CB
|
A:ASP140
|
4.6
|
71.4
|
1.0
|
C
|
A:ILE137
|
4.7
|
66.3
|
1.0
|
CA
|
A:CYS135
|
4.8
|
52.0
|
1.0
|
CA
|
A:SER151
|
4.8
|
51.8
|
1.0
|
CA
|
A:ILE137
|
4.9
|
66.3
|
1.0
|
N
|
A:ILE137
|
4.9
|
66.3
|
1.0
|
N
|
A:GLY139
|
5.0
|
72.2
|
1.0
|
|
Zinc binding site 2 out
of 4 in 3dzy
Go back to
Zinc Binding Sites List in 3dzy
Zinc binding site 2 out
of 4 in the Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex on Dna Bound with Rosiglitazone, 9-Cis Retinoic Acid and NCOA2 Peptide
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex on Dna Bound with Rosiglitazone, 9-Cis Retinoic Acid and NCOA2 Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn7222
b:52.8
occ:1.00
|
SG
|
A:CYS190
|
2.3
|
38.3
|
1.0
|
SG
|
A:CYS171
|
2.4
|
62.8
|
1.0
|
SG
|
A:CYS187
|
2.5
|
52.1
|
1.0
|
SG
|
A:CYS177
|
2.6
|
89.3
|
1.0
|
CB
|
A:CYS177
|
3.0
|
89.3
|
1.0
|
CB
|
A:CYS190
|
3.4
|
38.3
|
1.0
|
CB
|
A:CYS187
|
3.4
|
52.1
|
1.0
|
CB
|
A:CYS171
|
3.5
|
62.8
|
1.0
|
N
|
A:CYS177
|
3.9
|
62.8
|
1.0
|
CA
|
A:CYS177
|
4.0
|
62.8
|
1.0
|
N
|
A:CYS190
|
4.1
|
36.1
|
1.0
|
CA
|
A:CYS171
|
4.2
|
41.0
|
1.0
|
CA
|
A:CYS190
|
4.3
|
36.1
|
1.0
|
CA
|
A:LYS175
|
4.4
|
80.0
|
1.0
|
N
|
A:ASP176
|
4.6
|
0.6
|
1.0
|
N
|
A:LYS175
|
4.6
|
80.0
|
1.0
|
N
|
A:ARG172
|
4.6
|
82.5
|
1.0
|
CD2
|
A:TYR189
|
4.7
|
60.6
|
1.0
|
C
|
A:LYS175
|
4.7
|
80.0
|
1.0
|
CB
|
A:ASP173
|
4.8
|
0.4
|
1.0
|
N
|
A:ASP173
|
4.8
|
49.3
|
1.0
|
CA
|
A:CYS187
|
4.8
|
68.5
|
1.0
|
C
|
A:CYS171
|
5.0
|
41.0
|
1.0
|
CB
|
A:TYR189
|
5.0
|
60.6
|
1.0
|
|
Zinc binding site 3 out
of 4 in 3dzy
Go back to
Zinc Binding Sites List in 3dzy
Zinc binding site 3 out
of 4 in the Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex on Dna Bound with Rosiglitazone, 9-Cis Retinoic Acid and NCOA2 Peptide
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex on Dna Bound with Rosiglitazone, 9-Cis Retinoic Acid and NCOA2 Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn7121
b:63.6
occ:1.00
|
SG
|
D:CYS114
|
2.3
|
51.6
|
1.0
|
SG
|
D:CYS111
|
2.4
|
72.8
|
1.0
|
SG
|
D:CYS131
|
2.4
|
50.6
|
1.0
|
SG
|
D:CYS128
|
2.5
|
51.2
|
1.0
|
CB
|
D:CYS131
|
3.0
|
50.6
|
1.0
|
CB
|
D:CYS128
|
3.3
|
51.2
|
1.0
|
CB
|
D:CYS111
|
3.4
|
72.8
|
1.0
|
N
|
D:CYS114
|
3.5
|
64.0
|
1.0
|
CB
|
D:CYS114
|
3.5
|
51.6
|
1.0
|
N
|
D:CYS128
|
3.7
|
46.6
|
1.0
|
CA
|
D:CYS114
|
4.0
|
64.0
|
1.0
|
N
|
D:CYS131
|
4.0
|
66.3
|
1.0
|
CB
|
D:VAL113
|
4.1
|
54.1
|
1.0
|
CA
|
D:CYS128
|
4.1
|
46.6
|
1.0
|
CA
|
D:CYS131
|
4.1
|
66.3
|
1.0
|
OD1
|
D:ASP116
|
4.2
|
76.8
|
1.0
|
N
|
D:GLY115
|
4.4
|
59.0
|
1.0
|
C
|
D:VAL113
|
4.4
|
66.8
|
1.0
|
NH2
|
D:ARG159
|
4.5
|
53.4
|
1.0
|
CA
|
D:VAL113
|
4.6
|
66.8
|
1.0
|
N
|
D:VAL113
|
4.7
|
66.8
|
1.0
|
CG2
|
D:VAL113
|
4.7
|
54.1
|
1.0
|
C
|
D:CYS114
|
4.8
|
64.0
|
1.0
|
C
|
D:CYS128
|
4.8
|
46.6
|
1.0
|
CA
|
D:CYS111
|
4.8
|
68.2
|
1.0
|
C
|
D:ALA127
|
4.8
|
53.1
|
1.0
|
O
|
D:CYS128
|
4.8
|
46.6
|
1.0
|
NE
|
D:ARG159
|
4.9
|
53.4
|
1.0
|
CZ
|
D:ARG159
|
4.9
|
53.4
|
1.0
|
CG1
|
D:VAL113
|
5.0
|
54.1
|
1.0
|
|
Zinc binding site 4 out
of 4 in 3dzy
Go back to
Zinc Binding Sites List in 3dzy
Zinc binding site 4 out
of 4 in the Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex on Dna Bound with Rosiglitazone, 9-Cis Retinoic Acid and NCOA2 Peptide
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex on Dna Bound with Rosiglitazone, 9-Cis Retinoic Acid and NCOA2 Peptide within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn7122
b:65.4
occ:1.00
|
SG
|
D:CYS152
|
2.5
|
67.2
|
1.0
|
SG
|
D:CYS162
|
2.6
|
79.2
|
1.0
|
SG
|
D:CYS148
|
2.6
|
95.4
|
1.0
|
SG
|
D:CYS165
|
2.7
|
74.6
|
1.0
|
CB
|
D:CYS165
|
2.8
|
74.6
|
1.0
|
CB
|
D:CYS148
|
3.1
|
95.4
|
1.0
|
CB
|
D:CYS162
|
3.2
|
79.2
|
1.0
|
O
|
D:LEU150
|
3.6
|
0.5
|
1.0
|
CB
|
D:CYS152
|
3.7
|
67.2
|
1.0
|
CA
|
D:CYS165
|
4.0
|
67.8
|
1.0
|
N
|
D:CYS165
|
4.2
|
67.8
|
1.0
|
N
|
D:CYS152
|
4.4
|
83.5
|
1.0
|
CA
|
D:CYS148
|
4.5
|
78.5
|
1.0
|
C
|
D:LEU150
|
4.6
|
0.5
|
1.0
|
CA
|
D:CYS162
|
4.7
|
91.4
|
1.0
|
CA
|
D:CYS152
|
4.7
|
83.5
|
1.0
|
O
|
D:CYS148
|
4.7
|
78.5
|
1.0
|
C
|
D:CYS148
|
4.8
|
78.5
|
1.0
|
CB
|
D:LEU150
|
4.8
|
80.2
|
1.0
|
|
Reference:
V.Chandra,
P.Huang,
Y.Hamuro,
S.Raghuram,
Y.Wang,
T.P.Burris,
F.Rastinejad.
Structure of the Intact Ppar-Gamma-Rxr- Nuclear Receptor Complex on Dna. Nature V. 456 350 2008.
ISSN: ISSN 0028-0836
PubMed: 19043829
DOI: 10.1038/NATURE07413
Page generated: Thu Oct 24 12:24:45 2024
|