Cadmium in PDB 3f36: Apoferritin: Complex with 2-Isopropylphenol
Protein crystallography data
The structure of Apoferritin: Complex with 2-Isopropylphenol, PDB code: 3f36
was solved by
L.S.Vedula,
N.J.Economou,
M.J.Rossi,
R.G.Eckenhoff,
P.J.Loll,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
1.70
|
Space group
|
F 4 3 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
182.366,
182.366,
182.366,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.5 /
21
|
Cadmium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
11;
Binding sites:
The binding sites of Cadmium atom in the Apoferritin: Complex with 2-Isopropylphenol
(pdb code 3f36). This binding sites where shown within
5.0 Angstroms radius around Cadmium atom.
In total 11 binding sites of Cadmium where determined in the
Apoferritin: Complex with 2-Isopropylphenol, PDB code: 3f36:
Jump to Cadmium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Cadmium binding site 1 out
of 11 in 3f36
Go back to
Cadmium Binding Sites List in 3f36
Cadmium binding site 1 out
of 11 in the Apoferritin: Complex with 2-Isopropylphenol
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 1 of Apoferritin: Complex with 2-Isopropylphenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1001
b:25.5
occ:0.25
|
CD
|
A:CD1001
|
0.0
|
25.5
|
0.2
|
CD
|
A:CD1001
|
1.3
|
25.9
|
0.2
|
O
|
A:HOH325
|
1.5
|
38.2
|
0.5
|
OD2
|
A:ASP80
|
2.7
|
41.5
|
1.0
|
OD1
|
A:ASP80
|
2.8
|
34.6
|
1.0
|
CG
|
A:ASP80
|
3.2
|
33.1
|
1.0
|
O
|
A:HOH226
|
4.3
|
39.1
|
1.0
|
CB
|
A:ASP80
|
4.6
|
30.8
|
1.0
|
|
Cadmium binding site 2 out
of 11 in 3f36
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Cadmium Binding Sites List in 3f36
Cadmium binding site 2 out
of 11 in the Apoferritin: Complex with 2-Isopropylphenol
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 2 of Apoferritin: Complex with 2-Isopropylphenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1001
b:25.9
occ:0.25
|
CD
|
A:CD1001
|
0.0
|
25.9
|
0.2
|
CD
|
A:CD1001
|
1.3
|
25.5
|
0.2
|
OD2
|
A:ASP80
|
2.1
|
41.5
|
1.0
|
O
|
A:HOH325
|
2.6
|
38.2
|
0.5
|
CG
|
A:ASP80
|
2.9
|
33.1
|
1.0
|
OD1
|
A:ASP80
|
2.9
|
34.6
|
1.0
|
CB
|
A:ASP80
|
4.3
|
30.8
|
1.0
|
O
|
A:HOH226
|
4.9
|
39.1
|
1.0
|
|
Cadmium binding site 3 out
of 11 in 3f36
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Cadmium Binding Sites List in 3f36
Cadmium binding site 3 out
of 11 in the Apoferritin: Complex with 2-Isopropylphenol
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 3 of Apoferritin: Complex with 2-Isopropylphenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1002
b:58.3
occ:0.16
|
CD
|
A:CD1003
|
1.6
|
38.7
|
0.2
|
OE1
|
A:GLU130
|
2.5
|
43.0
|
1.0
|
CD
|
A:GLU130
|
3.4
|
41.1
|
1.0
|
OE2
|
A:GLU130
|
3.5
|
39.2
|
1.0
|
CD
|
A:CD1004
|
4.4
|
39.9
|
0.1
|
CG
|
A:GLU130
|
4.8
|
37.0
|
1.0
|
O
|
A:HOH236
|
4.9
|
48.6
|
1.0
|
|
Cadmium binding site 4 out
of 11 in 3f36
Go back to
Cadmium Binding Sites List in 3f36
Cadmium binding site 4 out
of 11 in the Apoferritin: Complex with 2-Isopropylphenol
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 4 of Apoferritin: Complex with 2-Isopropylphenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1003
b:38.7
occ:0.16
|
CD
|
A:CD1002
|
1.6
|
58.3
|
0.2
|
OE1
|
A:GLU130
|
2.5
|
43.0
|
1.0
|
OE2
|
A:GLU130
|
2.6
|
39.2
|
1.0
|
CD
|
A:GLU130
|
2.9
|
41.1
|
1.0
|
O
|
A:HOH236
|
3.9
|
48.6
|
1.0
|
CG
|
A:GLU130
|
4.3
|
37.0
|
1.0
|
NE2
|
A:HIS114
|
5.0
|
32.4
|
1.0
|
|
Cadmium binding site 5 out
of 11 in 3f36
Go back to
Cadmium Binding Sites List in 3f36
Cadmium binding site 5 out
of 11 in the Apoferritin: Complex with 2-Isopropylphenol
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 5 of Apoferritin: Complex with 2-Isopropylphenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1004
b:39.9
occ:0.15
|
O
|
A:HOH281
|
2.4
|
31.2
|
0.3
|
OD2
|
A:ASP127
|
3.1
|
45.6
|
1.0
|
OG
|
A:SER131
|
4.2
|
43.9
|
1.0
|
OE1
|
A:GLU130
|
4.3
|
43.0
|
1.0
|
CD
|
A:CD1002
|
4.4
|
58.3
|
0.2
|
CG
|
A:ASP127
|
4.4
|
39.6
|
1.0
|
|
Cadmium binding site 6 out
of 11 in 3f36
Go back to
Cadmium Binding Sites List in 3f36
Cadmium binding site 6 out
of 11 in the Apoferritin: Complex with 2-Isopropylphenol
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 6 of Apoferritin: Complex with 2-Isopropylphenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1005
b:52.8
occ:0.33
|
O
|
A:HOH318
|
1.9
|
57.4
|
1.0
|
OE2
|
A:GLU11
|
2.6
|
35.2
|
1.0
|
OE1
|
A:GLU11
|
2.6
|
40.9
|
1.0
|
O
|
A:HOH252
|
2.9
|
41.9
|
1.0
|
CD
|
A:GLU11
|
3.0
|
39.6
|
1.0
|
OG1
|
A:THR10
|
3.9
|
35.4
|
1.0
|
CG
|
A:GLU11
|
4.5
|
32.5
|
1.0
|
CB
|
A:SER9
|
4.7
|
29.6
|
1.0
|
NE2
|
A:GLN120
|
4.8
|
37.8
|
1.0
|
N
|
A:THR10
|
4.8
|
29.1
|
1.0
|
OE1
|
A:GLN120
|
4.8
|
43.0
|
1.0
|
|
Cadmium binding site 7 out
of 11 in 3f36
Go back to
Cadmium Binding Sites List in 3f36
Cadmium binding site 7 out
of 11 in the Apoferritin: Complex with 2-Isopropylphenol
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 7 of Apoferritin: Complex with 2-Isopropylphenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1006
b:44.4
occ:0.25
|
CD
|
A:CD1006
|
0.0
|
44.4
|
0.2
|
CD
|
A:CD1006
|
1.6
|
44.2
|
0.2
|
O
|
A:HOH305
|
1.6
|
43.2
|
1.0
|
OE2
|
A:GLU57
|
2.4
|
49.0
|
1.0
|
OE2
|
A:GLU60
|
2.5
|
42.6
|
1.0
|
OE1
|
A:GLU60
|
3.0
|
43.2
|
1.0
|
CD
|
A:GLU60
|
3.1
|
40.1
|
1.0
|
OE2
|
A:GLU56
|
3.4
|
49.5
|
1.0
|
CD
|
A:GLU57
|
3.4
|
44.5
|
1.0
|
OE1
|
A:GLU57
|
3.7
|
48.4
|
1.0
|
CD
|
A:GLU56
|
3.9
|
44.9
|
1.0
|
CG
|
A:GLU56
|
4.1
|
35.2
|
1.0
|
OE1
|
A:GLU53
|
4.2
|
39.1
|
0.5
|
CG
|
A:GLU60
|
4.6
|
32.5
|
1.0
|
OE1
|
A:GLU56
|
4.7
|
46.6
|
1.0
|
CG
|
A:GLU57
|
4.8
|
34.1
|
1.0
|
|
Cadmium binding site 8 out
of 11 in 3f36
Go back to
Cadmium Binding Sites List in 3f36
Cadmium binding site 8 out
of 11 in the Apoferritin: Complex with 2-Isopropylphenol
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 8 of Apoferritin: Complex with 2-Isopropylphenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1006
b:44.2
occ:0.25
|
CD
|
A:CD1006
|
0.0
|
44.2
|
0.2
|
CD
|
A:CD1006
|
1.6
|
44.4
|
0.2
|
OE1
|
A:GLU60
|
2.2
|
43.2
|
1.0
|
OE2
|
A:GLU56
|
2.2
|
49.5
|
1.0
|
CD
|
A:GLU60
|
2.9
|
40.1
|
1.0
|
OE2
|
A:GLU60
|
2.9
|
42.6
|
1.0
|
O
|
A:HOH305
|
3.1
|
43.2
|
1.0
|
CD
|
A:GLU56
|
3.1
|
44.9
|
1.0
|
CG
|
A:GLU56
|
3.6
|
35.2
|
1.0
|
OE2
|
A:GLU57
|
3.7
|
49.0
|
1.0
|
OE1
|
A:GLU56
|
4.1
|
46.6
|
1.0
|
CG
|
A:GLU60
|
4.4
|
32.5
|
1.0
|
CD
|
A:CD1007
|
4.5
|
79.6
|
0.3
|
OE1
|
A:GLU53
|
4.7
|
39.1
|
0.5
|
CD
|
A:GLU57
|
4.8
|
44.5
|
1.0
|
CB
|
A:GLU56
|
5.0
|
29.1
|
1.0
|
|
Cadmium binding site 9 out
of 11 in 3f36
Go back to
Cadmium Binding Sites List in 3f36
Cadmium binding site 9 out
of 11 in the Apoferritin: Complex with 2-Isopropylphenol
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 9 of Apoferritin: Complex with 2-Isopropylphenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1007
b:58.1
occ:0.33
|
CD
|
A:CD1007
|
0.0
|
58.1
|
0.3
|
OE1
|
A:GLU53
|
2.3
|
36.5
|
0.5
|
OE1
|
A:GLU56
|
2.4
|
46.6
|
1.0
|
CD
|
A:CD1007
|
2.4
|
79.6
|
0.3
|
OE2
|
A:GLU53
|
2.6
|
36.8
|
0.5
|
CD
|
A:GLU53
|
2.8
|
34.4
|
0.5
|
CD
|
A:GLU56
|
3.3
|
44.9
|
1.0
|
OE2
|
A:GLU56
|
3.5
|
49.5
|
1.0
|
OE1
|
A:GLU53
|
3.6
|
39.1
|
0.5
|
CG
|
A:GLU53
|
4.0
|
33.8
|
0.5
|
CD
|
A:GLU53
|
4.1
|
37.1
|
0.5
|
CG
|
A:GLU53
|
4.3
|
31.4
|
0.5
|
CG
|
A:GLU56
|
4.7
|
35.2
|
1.0
|
CB
|
A:GLU56
|
5.0
|
29.1
|
1.0
|
|
Cadmium binding site 10 out
of 11 in 3f36
Go back to
Cadmium Binding Sites List in 3f36
Cadmium binding site 10 out
of 11 in the Apoferritin: Complex with 2-Isopropylphenol
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 10 of Apoferritin: Complex with 2-Isopropylphenol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1007
b:79.6
occ:0.33
|
CD
|
A:CD1007
|
0.0
|
79.6
|
0.3
|
CD
|
A:CD1007
|
2.4
|
58.1
|
0.3
|
OE2
|
A:GLU56
|
2.7
|
49.5
|
1.0
|
OE1
|
A:GLU56
|
2.8
|
46.6
|
1.0
|
CD
|
A:GLU56
|
3.1
|
44.9
|
1.0
|
CD
|
A:CD1006
|
4.5
|
44.2
|
0.2
|
CG
|
A:GLU56
|
4.5
|
35.2
|
1.0
|
OE1
|
A:GLU53
|
4.6
|
36.5
|
0.5
|
OE2
|
A:GLU53
|
4.6
|
36.8
|
0.5
|
|
Reference:
L.S.Vedula,
G.Brannigan,
N.J.Economou,
J.Xi,
M.A.Hall,
R.Liu,
M.J.Rossi,
W.P.Dailey,
K.C.Grasty,
M.L.Klein,
R.G.Eckenhoff,
P.J.Loll.
A Unitary Anesthetic Binding Site at High Resolution. J.Biol.Chem. V. 284 24176 2009.
ISSN: ISSN 0021-9258
PubMed: 19605349
DOI: 10.1074/JBC.M109.017814
Page generated: Fri Jul 19 15:54:08 2024
|