Cadmium in PDB 1xz3: Complex of Apoferritin with Isoflurane
Protein crystallography data
The structure of Complex of Apoferritin with Isoflurane, PDB code: 1xz3
was solved by
R.Liu,
P.J.Loll,
R.G.Eckenhoff,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.00 /
1.75
|
Space group
|
F 4 3 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
181.510,
181.510,
181.510,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.9 /
21
|
Other elements in 1xz3:
The structure of Complex of Apoferritin with Isoflurane also contains other interesting chemical elements:
Cadmium Binding Sites:
The binding sites of Cadmium atom in the Complex of Apoferritin with Isoflurane
(pdb code 1xz3). This binding sites where shown within
5.0 Angstroms radius around Cadmium atom.
In total 7 binding sites of Cadmium where determined in the
Complex of Apoferritin with Isoflurane, PDB code: 1xz3:
Jump to Cadmium binding site number:
1;
2;
3;
4;
5;
6;
7;
Cadmium binding site 1 out
of 7 in 1xz3
Go back to
Cadmium Binding Sites List in 1xz3
Cadmium binding site 1 out
of 7 in the Complex of Apoferritin with Isoflurane
 Mono view
 Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 1 of Complex of Apoferritin with Isoflurane within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1001
b:21.4
occ:0.50
|
OD2
|
A:ASP80
|
2.1
|
18.4
|
1.0
|
OD1
|
A:ASP80
|
2.4
|
15.8
|
1.0
|
O
|
A:HOH1067
|
2.5
|
38.3
|
1.0
|
CG
|
A:ASP80
|
2.7
|
19.4
|
1.0
|
CB
|
A:ASP80
|
4.2
|
18.0
|
1.0
|
O
|
A:HOH1042
|
4.4
|
22.2
|
1.0
|
O
|
A:HOH1053
|
4.5
|
30.3
|
1.0
|
|
Cadmium binding site 2 out
of 7 in 1xz3
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Cadmium Binding Sites List in 1xz3
Cadmium binding site 2 out
of 7 in the Complex of Apoferritin with Isoflurane
 Mono view
 Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 2 of Complex of Apoferritin with Isoflurane within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1002
b:79.7
occ:0.33
|
OE1
|
A:GLU130
|
2.3
|
41.6
|
1.0
|
CD
|
A:CD1007
|
2.7
|
46.1
|
0.3
|
CD
|
A:GLU130
|
3.3
|
41.1
|
1.0
|
OE2
|
A:GLU130
|
3.5
|
42.1
|
1.0
|
O
|
A:HOH1108
|
3.9
|
30.3
|
0.3
|
O
|
A:HOH1197
|
4.3
|
69.5
|
1.0
|
CG
|
A:GLU130
|
4.7
|
38.2
|
1.0
|
CD
|
A:CD1004
|
5.0
|
64.9
|
0.3
|
|
Cadmium binding site 3 out
of 7 in 1xz3
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Cadmium Binding Sites List in 1xz3
Cadmium binding site 3 out
of 7 in the Complex of Apoferritin with Isoflurane
 Mono view
 Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 3 of Complex of Apoferritin with Isoflurane within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1003
b:98.9
occ:1.00
|
OE2
|
A:GLU60
|
2.4
|
33.5
|
1.0
|
CD
|
A:GLU60
|
3.1
|
29.8
|
1.0
|
OE1
|
A:GLU60
|
3.1
|
36.8
|
1.0
|
O
|
A:HOH1132
|
3.2
|
41.8
|
1.0
|
OE2
|
A:GLU56
|
3.2
|
37.8
|
1.0
|
O
|
A:HOH1140
|
3.2
|
44.5
|
1.0
|
O
|
A:HOH1135
|
3.9
|
41.5
|
1.0
|
CD
|
A:GLU56
|
4.1
|
32.4
|
1.0
|
CG
|
A:GLU56
|
4.2
|
25.0
|
1.0
|
CG
|
A:GLU60
|
4.6
|
23.7
|
1.0
|
CG
|
A:GLU57
|
4.7
|
26.8
|
1.0
|
O
|
A:HOH1190
|
5.0
|
49.8
|
1.0
|
CA
|
A:GLU57
|
5.0
|
18.8
|
1.0
|
|
Cadmium binding site 4 out
of 7 in 1xz3
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Cadmium Binding Sites List in 1xz3
Cadmium binding site 4 out
of 7 in the Complex of Apoferritin with Isoflurane
 Mono view
 Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 4 of Complex of Apoferritin with Isoflurane within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1004
b:64.9
occ:0.33
|
CD
|
A:CD1007
|
4.6
|
46.1
|
0.3
|
CD
|
A:CD1002
|
5.0
|
79.7
|
0.3
|
|
Cadmium binding site 5 out
of 7 in 1xz3
Go back to
Cadmium Binding Sites List in 1xz3
Cadmium binding site 5 out
of 7 in the Complex of Apoferritin with Isoflurane
 Mono view
 Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 5 of Complex of Apoferritin with Isoflurane within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1005
b:0.9
occ:1.00
|
SG
|
A:CYS48
|
2.0
|
23.1
|
1.0
|
CB
|
A:CYS48
|
3.0
|
16.0
|
1.0
|
C
|
A:CYS48
|
3.5
|
15.9
|
1.0
|
N
|
A:HIS49
|
3.6
|
16.2
|
1.0
|
CD
|
A:ARG52
|
3.7
|
28.8
|
1.0
|
CA
|
A:CYS48
|
3.9
|
15.8
|
1.0
|
O
|
A:CYS48
|
3.9
|
14.8
|
1.0
|
CA
|
A:HIS49
|
4.0
|
17.7
|
1.0
|
NH1
|
A:ARG52
|
4.1
|
38.7
|
1.0
|
O
|
A:GLU45
|
4.3
|
16.5
|
1.0
|
CG
|
A:ARG52
|
4.4
|
23.6
|
1.0
|
CB
|
A:HIS49
|
4.6
|
20.0
|
1.0
|
O
|
A:HOH1088
|
4.7
|
45.4
|
1.0
|
NE
|
A:ARG52
|
4.7
|
33.0
|
1.0
|
O
|
A:HOH1095
|
4.7
|
60.7
|
1.0
|
ND1
|
A:HIS49
|
4.8
|
34.4
|
1.0
|
CZ
|
A:ARG52
|
4.9
|
36.6
|
1.0
|
N
|
A:CYS48
|
5.0
|
14.6
|
1.0
|
|
Cadmium binding site 6 out
of 7 in 1xz3
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Cadmium Binding Sites List in 1xz3
Cadmium binding site 6 out
of 7 in the Complex of Apoferritin with Isoflurane
 Mono view
 Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 6 of Complex of Apoferritin with Isoflurane within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1006
b:1.0
occ:1.00
|
OE1
|
A:GLU53
|
2.6
|
39.8
|
1.0
|
OE1
|
A:GLU56
|
2.8
|
38.1
|
1.0
|
OE2
|
A:GLU53
|
3.0
|
41.7
|
1.0
|
OE2
|
A:GLU56
|
3.1
|
37.8
|
1.0
|
CD
|
A:GLU53
|
3.2
|
34.0
|
1.0
|
CD
|
A:GLU56
|
3.2
|
32.4
|
1.0
|
O
|
A:HOH1135
|
3.9
|
41.5
|
1.0
|
CG
|
A:GLU56
|
4.6
|
25.0
|
1.0
|
CG
|
A:GLU53
|
4.7
|
25.4
|
1.0
|
O
|
A:HOH1196
|
4.8
|
50.2
|
1.0
|
CB
|
A:GLU56
|
4.9
|
19.3
|
1.0
|
|
Cadmium binding site 7 out
of 7 in 1xz3
Go back to
Cadmium Binding Sites List in 1xz3
Cadmium binding site 7 out
of 7 in the Complex of Apoferritin with Isoflurane
 Mono view
 Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 7 of Complex of Apoferritin with Isoflurane within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1007
b:46.1
occ:0.33
|
O
|
A:HOH1197
|
2.2
|
69.5
|
1.0
|
OE2
|
A:GLU130
|
2.7
|
42.1
|
1.0
|
CD
|
A:CD1002
|
2.7
|
79.7
|
0.3
|
OE1
|
A:GLU130
|
3.3
|
41.6
|
1.0
|
CD
|
A:GLU130
|
3.3
|
41.1
|
1.0
|
NE2
|
A:HIS114
|
4.4
|
30.5
|
1.0
|
CD
|
A:CD1004
|
4.6
|
64.9
|
0.3
|
CG
|
A:GLU130
|
4.7
|
38.2
|
1.0
|
CE1
|
A:HIS114
|
4.8
|
32.0
|
1.0
|
|
Reference:
R.Liu,
P.J.Loll,
R.G.Eckenhoff.
Structural Basis For High-Affinity Volatile Anesthetic Binding in A Natural 4-Helix Bundle Protein. Faseb J. V. 19 567 2005.
ISSN: ISSN 0892-6638
PubMed: 15791007
DOI: 10.1096/FJ.04-3171COM
Page generated: Fri Jul 19 14:31:29 2024
|