Cadmium in PDB 2g4h: Anomalous Substructure of Apoferritin
Protein crystallography data
The structure of Anomalous Substructure of Apoferritin, PDB code: 2g4h
was solved by
C.Mueller-Dieckmann,
M.S.Weiss,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
2.00
|
Space group
|
F 4 3 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
182.160,
182.160,
182.160,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
19.5 /
21.8
|
Other elements in 2g4h:
The structure of Anomalous Substructure of Apoferritin also contains other interesting chemical elements:
Cadmium Binding Sites:
The binding sites of Cadmium atom in the Anomalous Substructure of Apoferritin
(pdb code 2g4h). This binding sites where shown within
5.0 Angstroms radius around Cadmium atom.
In total 9 binding sites of Cadmium where determined in the
Anomalous Substructure of Apoferritin, PDB code: 2g4h:
Jump to Cadmium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Cadmium binding site 1 out
of 9 in 2g4h
Go back to
Cadmium Binding Sites List in 2g4h
Cadmium binding site 1 out
of 9 in the Anomalous Substructure of Apoferritin
 Mono view
 Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 1 of Anomalous Substructure of Apoferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd201
b:36.8
occ:0.50
|
OE1
|
A:GLN86
|
2.4
|
38.8
|
1.0
|
CD
|
A:GLN86
|
3.4
|
38.3
|
1.0
|
NE2
|
A:GLN86
|
3.9
|
32.4
|
1.0
|
CG
|
A:GLN86
|
4.7
|
33.8
|
1.0
|
CB
|
A:GLN86
|
5.0
|
27.3
|
1.0
|
CA
|
A:GLN86
|
5.0
|
27.6
|
1.0
|
N
|
A:LYS87
|
5.0
|
27.8
|
1.0
|
|
Cadmium binding site 2 out
of 9 in 2g4h
Go back to
Cadmium Binding Sites List in 2g4h
Cadmium binding site 2 out
of 9 in the Anomalous Substructure of Apoferritin
 Mono view
 Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 2 of Anomalous Substructure of Apoferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd202
b:30.3
occ:0.25
|
OE2
|
A:GLU64
|
2.1
|
40.3
|
1.0
|
OE1
|
A:GLU60
|
2.2
|
44.5
|
1.0
|
OE1
|
A:GLU64
|
2.7
|
39.0
|
1.0
|
CD
|
A:GLU64
|
2.8
|
28.5
|
1.0
|
OE2
|
A:GLU61
|
2.9
|
57.3
|
1.0
|
CD
|
A:GLU60
|
3.1
|
30.8
|
1.0
|
CG
|
A:GLU60
|
3.5
|
26.8
|
1.0
|
CD
|
A:GLU61
|
4.0
|
46.3
|
1.0
|
CG
|
A:GLU64
|
4.3
|
26.6
|
1.0
|
OE2
|
A:GLU60
|
4.3
|
46.6
|
1.0
|
O
|
A:HOH229
|
4.3
|
43.8
|
1.0
|
OE1
|
A:GLU61
|
4.5
|
51.6
|
1.0
|
CB
|
A:GLU60
|
4.9
|
23.9
|
1.0
|
|
Cadmium binding site 3 out
of 9 in 2g4h
Go back to
Cadmium Binding Sites List in 2g4h
Cadmium binding site 3 out
of 9 in the Anomalous Substructure of Apoferritin
 Mono view
 Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 3 of Anomalous Substructure of Apoferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd203
b:48.5
occ:0.20
|
OD1
|
A:ASP131
|
2.9
|
51.8
|
1.0
|
OG
|
A:SER135
|
3.8
|
47.0
|
1.0
|
OE1
|
A:GLU134
|
4.1
|
48.5
|
1.0
|
CG
|
A:ASP131
|
4.1
|
35.6
|
1.0
|
CD
|
A:CD204
|
4.5
|
45.4
|
0.2
|
CB
|
A:GLU134
|
4.8
|
37.5
|
1.0
|
O
|
A:ASP131
|
4.9
|
32.0
|
1.0
|
CB
|
A:ASP131
|
4.9
|
32.5
|
1.0
|
CA
|
A:ASP131
|
4.9
|
32.1
|
1.0
|
|
Cadmium binding site 4 out
of 9 in 2g4h
Go back to
Cadmium Binding Sites List in 2g4h
Cadmium binding site 4 out
of 9 in the Anomalous Substructure of Apoferritin
 Mono view
 Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 4 of Anomalous Substructure of Apoferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd204
b:45.4
occ:0.18
|
O
|
A:HOH306
|
1.4
|
35.8
|
1.0
|
OE1
|
A:GLU134
|
2.4
|
48.5
|
1.0
|
CD
|
A:GLU134
|
3.3
|
38.6
|
1.0
|
OE2
|
A:GLU134
|
3.4
|
34.7
|
1.0
|
CD
|
A:CD203
|
4.5
|
48.5
|
0.2
|
CG
|
A:GLU134
|
4.7
|
36.6
|
1.0
|
CA
|
A:ASP131
|
4.7
|
32.1
|
1.0
|
N
|
A:ASP131
|
4.8
|
32.4
|
1.0
|
|
Cadmium binding site 5 out
of 9 in 2g4h
Go back to
Cadmium Binding Sites List in 2g4h
Cadmium binding site 5 out
of 9 in the Anomalous Substructure of Apoferritin
 Mono view
 Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 5 of Anomalous Substructure of Apoferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd205
b:35.1
occ:0.16
|
OE2
|
A:GLU60
|
2.6
|
46.6
|
1.0
|
CD
|
A:GLU60
|
3.4
|
30.8
|
1.0
|
OE1
|
A:GLU60
|
3.5
|
44.5
|
1.0
|
O
|
A:HOH229
|
4.1
|
43.8
|
1.0
|
CG
|
A:GLU57
|
4.7
|
31.3
|
1.0
|
CG
|
A:GLU60
|
4.7
|
26.8
|
1.0
|
|
Cadmium binding site 6 out
of 9 in 2g4h
Go back to
Cadmium Binding Sites List in 2g4h
Cadmium binding site 6 out
of 9 in the Anomalous Substructure of Apoferritin
 Mono view
 Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 6 of Anomalous Substructure of Apoferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd206
b:25.1
occ:0.10
|
OE1
|
A:GLU15
|
2.5
|
33.1
|
1.0
|
OE2
|
A:GLU15
|
2.6
|
39.1
|
1.0
|
CD
|
A:GLU15
|
2.9
|
39.0
|
1.0
|
O
|
A:HOH275
|
3.3
|
36.5
|
1.0
|
OG1
|
A:THR14
|
4.0
|
30.5
|
1.0
|
CG
|
A:GLU15
|
4.4
|
28.3
|
1.0
|
NE2
|
A:GLN124
|
4.5
|
45.9
|
1.0
|
OE1
|
A:GLN124
|
4.5
|
41.7
|
1.0
|
CB
|
A:SER13
|
4.7
|
27.3
|
1.0
|
CD
|
A:GLN124
|
4.9
|
43.6
|
1.0
|
N
|
A:THR14
|
5.0
|
26.1
|
1.0
|
|
Cadmium binding site 7 out
of 9 in 2g4h
Go back to
Cadmium Binding Sites List in 2g4h
Cadmium binding site 7 out
of 9 in the Anomalous Substructure of Apoferritin
 Mono view
 Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 7 of Anomalous Substructure of Apoferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd207
b:31.1
occ:0.08
|
OE1
|
A:GLU49
|
2.3
|
43.7
|
1.0
|
CD
|
A:GLU49
|
2.9
|
33.6
|
1.0
|
OE2
|
A:GLU49
|
2.9
|
51.7
|
1.0
|
O
|
A:HOH233
|
4.2
|
41.5
|
1.0
|
CG
|
A:GLU49
|
4.3
|
28.5
|
1.0
|
|
Cadmium binding site 8 out
of 9 in 2g4h
Go back to
Cadmium Binding Sites List in 2g4h
Cadmium binding site 8 out
of 9 in the Anomalous Substructure of Apoferritin
 Mono view
 Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 8 of Anomalous Substructure of Apoferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd208
b:26.6
occ:0.07
|
OE2
|
A:GLU92
|
2.2
|
43.5
|
1.0
|
CD
|
A:GLU92
|
2.9
|
35.0
|
1.0
|
OE1
|
A:GLU92
|
3.0
|
46.4
|
1.0
|
CG
|
A:GLU92
|
4.4
|
32.6
|
1.0
|
NH2
|
A:ARG43
|
4.6
|
37.2
|
1.0
|
NH1
|
A:ARG43
|
4.8
|
34.9
|
1.0
|
|
Cadmium binding site 9 out
of 9 in 2g4h
Go back to
Cadmium Binding Sites List in 2g4h
Cadmium binding site 9 out
of 9 in the Anomalous Substructure of Apoferritin
 Mono view
 Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 9 of Anomalous Substructure of Apoferritin within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd209
b:19.6
occ:0.05
|
OD1
|
A:ASP42
|
2.9
|
29.5
|
1.0
|
SG
|
A:CYS52
|
3.1
|
30.7
|
1.0
|
CG
|
A:ASP42
|
3.6
|
24.3
|
1.0
|
O
|
A:HOH224
|
3.6
|
41.0
|
1.0
|
CB
|
A:ASP42
|
3.7
|
21.1
|
1.0
|
CB
|
A:CYS52
|
3.8
|
23.6
|
1.0
|
CA
|
A:ASP42
|
4.3
|
22.3
|
1.0
|
CG
|
A:GLU49
|
4.5
|
28.5
|
1.0
|
OD2
|
A:ASP42
|
4.6
|
27.5
|
1.0
|
CA
|
A:GLU49
|
4.8
|
25.0
|
1.0
|
O
|
A:GLU49
|
5.0
|
23.4
|
1.0
|
|
Reference:
C.Mueller-Dieckmann,
S.Panjikar,
A.Schmidt,
S.Mueller,
J.Kuper,
A.Geerlof,
M.Wilmanns,
R.K.Singh,
P.A.Tucker,
M.S.Weiss.
On the Routine Use of Soft X-Rays in Macromolecular Crystallography. Part IV. Efficient Determination of Anomalous Substructures in Biomacromolecules Using Longer X-Ray Wavelengths. Acta Crystallogr.,Sect.D V. 63 366 2007.
ISSN: ISSN 0907-4449
PubMed: 17327674
DOI: 10.1107/S0907444906055624
Page generated: Fri Jul 19 14:55:50 2024
|