Cadmium in PDB 8x8f: Crystal Structure of Lipoxygenase From Enhygromyxa Salina
Protein crystallography data
The structure of Crystal Structure of Lipoxygenase From Enhygromyxa Salina, PDB code: 8x8f
was solved by
J.W.Kim,
P.W.Seo,
J.S.Kim,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.61 /
2.80
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
164.726,
248.59,
164.089,
90,
119.86,
90
|
R / Rfree (%)
|
22.7 /
25.4
|
Cadmium Binding Sites:
Cadmium binding site 1 out
of 48 in 8x8f
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Cadmium Binding Sites List in 8x8f
Cadmium binding site 1 out
of 48 in the Crystal Structure of Lipoxygenase From Enhygromyxa Salina
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_01.jpg) Mono view
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_01_stereo.jpg) Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 1 of Crystal Structure of Lipoxygenase From Enhygromyxa Salina within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd701
b:69.1
occ:1.00
|
O
|
A:ILE650
|
2.5
|
43.6
|
1.0
|
NE2
|
A:HIS346
|
2.6
|
38.4
|
1.0
|
NE2
|
A:HIS351
|
2.8
|
39.2
|
1.0
|
NE2
|
A:HIS527
|
2.9
|
37.1
|
1.0
|
OD1
|
A:ASN531
|
3.1
|
42.3
|
1.0
|
CE1
|
A:HIS346
|
3.2
|
38.6
|
1.0
|
C
|
A:ILE650
|
3.3
|
43.8
|
1.0
|
OXT
|
A:ILE650
|
3.3
|
43.7
|
1.0
|
CG
|
A:ASN531
|
3.4
|
41.7
|
1.0
|
CD2
|
A:HIS351
|
3.4
|
39.1
|
1.0
|
CD2
|
A:HIS527
|
3.6
|
36.6
|
1.0
|
CB
|
A:ASN531
|
3.6
|
41.2
|
1.0
|
CD2
|
A:HIS346
|
3.7
|
38.0
|
1.0
|
CE1
|
A:HIS527
|
3.9
|
37.0
|
1.0
|
CE1
|
A:HIS351
|
3.9
|
39.4
|
1.0
|
ND2
|
A:ASN531
|
4.2
|
41.9
|
1.0
|
ND1
|
A:HIS346
|
4.4
|
38.8
|
1.0
|
CA
|
A:ASN531
|
4.5
|
41.0
|
1.0
|
NE2
|
A:GLN534
|
4.6
|
41.2
|
1.0
|
CG
|
A:HIS346
|
4.7
|
37.9
|
1.0
|
CG
|
A:HIS351
|
4.7
|
38.4
|
1.0
|
CA
|
A:ILE650
|
4.7
|
43.5
|
1.0
|
CG2
|
A:ILE648
|
4.8
|
27.3
|
1.0
|
CG
|
A:HIS527
|
4.9
|
36.8
|
1.0
|
N
|
A:ILE650
|
4.9
|
42.1
|
1.0
|
ND1
|
A:HIS351
|
4.9
|
38.9
|
1.0
|
ND1
|
A:HIS527
|
5.0
|
37.3
|
1.0
|
|
Cadmium binding site 2 out
of 48 in 8x8f
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Cadmium Binding Sites List in 8x8f
Cadmium binding site 2 out
of 48 in the Crystal Structure of Lipoxygenase From Enhygromyxa Salina
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_02.jpg) Mono view
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_02_stereo.jpg) Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 2 of Crystal Structure of Lipoxygenase From Enhygromyxa Salina within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd702
b:45.9
occ:1.00
|
OD1
|
A:ASP11
|
2.7
|
34.4
|
1.0
|
OD2
|
A:ASP11
|
2.7
|
34.5
|
1.0
|
O
|
A:HOH860
|
2.8
|
28.5
|
1.0
|
O
|
A:HOH820
|
2.9
|
44.1
|
1.0
|
O
|
A:HOH841
|
2.9
|
27.5
|
1.0
|
CD2
|
A:HIS368
|
2.9
|
43.6
|
1.0
|
CG
|
A:ASP11
|
3.1
|
34.1
|
1.0
|
CG
|
A:HIS368
|
3.6
|
44.1
|
1.0
|
NE2
|
A:HIS368
|
3.9
|
45.1
|
1.0
|
CB
|
A:HIS368
|
4.0
|
43.0
|
1.0
|
CG
|
A:ARG13
|
4.3
|
41.7
|
1.0
|
CB
|
A:ASP11
|
4.5
|
34.8
|
1.0
|
OE1
|
A:GLN16
|
4.6
|
57.1
|
1.0
|
CG2
|
A:THR6
|
4.7
|
42.4
|
1.0
|
CD
|
A:PRO12
|
4.7
|
52.2
|
1.0
|
O
|
B:HOH823
|
4.7
|
30.1
|
1.0
|
ND1
|
A:HIS368
|
4.7
|
45.7
|
1.0
|
O
|
A:ARG13
|
4.8
|
44.0
|
1.0
|
CE1
|
A:HIS368
|
4.8
|
46.4
|
1.0
|
CG
|
A:PRO12
|
5.0
|
52.5
|
1.0
|
NH1
|
A:ARG17
|
5.0
|
45.0
|
1.0
|
|
Cadmium binding site 3 out
of 48 in 8x8f
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Cadmium Binding Sites List in 8x8f
Cadmium binding site 3 out
of 48 in the Crystal Structure of Lipoxygenase From Enhygromyxa Salina
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_03.jpg) Mono view
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_03_stereo.jpg) Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 3 of Crystal Structure of Lipoxygenase From Enhygromyxa Salina within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd703
b:96.9
occ:1.00
|
NE2
|
A:HIS583
|
3.0
|
54.4
|
1.0
|
O
|
A:HOH883
|
3.6
|
28.1
|
1.0
|
CD2
|
A:HIS583
|
3.8
|
54.2
|
1.0
|
CE1
|
A:HIS583
|
3.9
|
54.8
|
1.0
|
O
|
A:GLY580
|
4.0
|
45.4
|
1.0
|
CD
|
A:LYS535
|
4.5
|
41.3
|
1.0
|
OD1
|
A:ASP536
|
4.6
|
51.0
|
1.0
|
OD2
|
A:ASP536
|
4.7
|
52.3
|
1.0
|
CD1
|
A:PHE532
|
4.8
|
37.3
|
1.0
|
CG
|
A:HIS583
|
4.9
|
54.5
|
1.0
|
CA
|
A:GLY581
|
4.9
|
39.0
|
1.0
|
ND1
|
A:HIS583
|
4.9
|
54.5
|
1.0
|
|
Cadmium binding site 4 out
of 48 in 8x8f
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Cadmium Binding Sites List in 8x8f
Cadmium binding site 4 out
of 48 in the Crystal Structure of Lipoxygenase From Enhygromyxa Salina
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_04.jpg) Mono view
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_04_stereo.jpg) Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 4 of Crystal Structure of Lipoxygenase From Enhygromyxa Salina within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd704
b:132.1
occ:1.00
|
ND1
|
A:HIS412
|
3.2
|
43.4
|
1.0
|
O
|
A:HOH869
|
3.9
|
43.8
|
1.0
|
CE1
|
A:HIS412
|
4.1
|
43.4
|
1.0
|
CG
|
A:HIS412
|
4.1
|
43.2
|
1.0
|
CB
|
A:HIS412
|
4.3
|
43.4
|
1.0
|
CD
|
A:PRO35
|
4.7
|
55.7
|
1.0
|
|
Cadmium binding site 5 out
of 48 in 8x8f
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Cadmium Binding Sites List in 8x8f
Cadmium binding site 5 out
of 48 in the Crystal Structure of Lipoxygenase From Enhygromyxa Salina
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_05.jpg) Mono view
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_05_stereo.jpg) Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 5 of Crystal Structure of Lipoxygenase From Enhygromyxa Salina within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cd701
b:75.5
occ:1.00
|
NE2
|
B:HIS346
|
2.6
|
43.9
|
1.0
|
O
|
B:ILE650
|
2.6
|
45.1
|
1.0
|
OXT
|
B:ILE650
|
2.7
|
43.2
|
1.0
|
NE2
|
B:HIS527
|
2.8
|
37.9
|
1.0
|
NE2
|
B:HIS351
|
2.8
|
45.3
|
1.0
|
ND2
|
B:ASN531
|
3.0
|
39.5
|
1.0
|
C
|
B:ILE650
|
3.0
|
44.0
|
1.0
|
CG
|
B:ASN531
|
3.3
|
39.0
|
1.0
|
CD2
|
B:HIS351
|
3.4
|
44.4
|
1.0
|
CE1
|
B:HIS346
|
3.4
|
43.9
|
1.0
|
CD2
|
B:HIS527
|
3.5
|
37.2
|
1.0
|
CB
|
B:ASN531
|
3.5
|
37.4
|
1.0
|
CD2
|
B:HIS346
|
3.6
|
43.1
|
1.0
|
CE1
|
B:HIS527
|
3.8
|
37.8
|
1.0
|
CE1
|
B:HIS351
|
4.0
|
45.0
|
1.0
|
OD1
|
B:ASN531
|
4.1
|
39.4
|
1.0
|
OE1
|
B:GLN534
|
4.5
|
44.2
|
1.0
|
CA
|
B:ASN531
|
4.5
|
36.8
|
1.0
|
CA
|
B:ILE650
|
4.5
|
44.6
|
1.0
|
ND1
|
B:HIS346
|
4.6
|
43.6
|
1.0
|
CG
|
B:HIS351
|
4.7
|
44.4
|
1.0
|
CG
|
B:HIS527
|
4.7
|
36.8
|
1.0
|
CG
|
B:HIS346
|
4.7
|
42.8
|
1.0
|
ND1
|
B:HIS527
|
4.8
|
37.8
|
1.0
|
CG2
|
B:ILE648
|
4.8
|
30.8
|
1.0
|
ND1
|
B:HIS351
|
4.9
|
45.8
|
1.0
|
|
Cadmium binding site 6 out
of 48 in 8x8f
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Cadmium Binding Sites List in 8x8f
Cadmium binding site 6 out
of 48 in the Crystal Structure of Lipoxygenase From Enhygromyxa Salina
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_06.jpg) Mono view
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_06_stereo.jpg) Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 6 of Crystal Structure of Lipoxygenase From Enhygromyxa Salina within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cd702
b:51.9
occ:1.00
|
OD2
|
B:ASP11
|
2.7
|
38.0
|
1.0
|
OD1
|
B:ASP11
|
2.7
|
38.7
|
1.0
|
O
|
B:HOH844
|
2.8
|
42.5
|
1.0
|
O
|
B:HOH842
|
2.9
|
34.8
|
1.0
|
CD2
|
B:HIS368
|
3.0
|
74.1
|
1.0
|
CG
|
B:ASP11
|
3.1
|
38.7
|
1.0
|
NE2
|
B:HIS368
|
3.5
|
75.4
|
1.0
|
CG
|
B:HIS368
|
3.7
|
73.8
|
1.0
|
CB
|
B:HIS368
|
4.3
|
72.3
|
1.0
|
CE1
|
B:HIS368
|
4.4
|
78.8
|
1.0
|
ND1
|
B:HIS368
|
4.4
|
77.5
|
1.0
|
CD
|
B:PRO12
|
4.6
|
49.8
|
1.0
|
CB
|
B:ASP11
|
4.6
|
39.7
|
1.0
|
CB
|
B:ARG13
|
4.7
|
55.7
|
1.0
|
O
|
B:ARG13
|
4.7
|
55.9
|
1.0
|
CG2
|
B:THR6
|
4.8
|
45.5
|
1.0
|
CG
|
B:PRO12
|
4.8
|
50.0
|
1.0
|
N
|
B:ARG13
|
4.8
|
54.9
|
1.0
|
CG
|
B:ARG13
|
5.0
|
55.3
|
1.0
|
NH1
|
B:ARG17
|
5.0
|
63.0
|
1.0
|
|
Cadmium binding site 7 out
of 48 in 8x8f
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Cadmium Binding Sites List in 8x8f
Cadmium binding site 7 out
of 48 in the Crystal Structure of Lipoxygenase From Enhygromyxa Salina
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_07.jpg) Mono view
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_07_stereo.jpg) Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 7 of Crystal Structure of Lipoxygenase From Enhygromyxa Salina within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cd703
b:85.2
occ:1.00
|
NE2
|
B:HIS583
|
2.9
|
59.9
|
1.0
|
O
|
B:HOH856
|
3.1
|
57.9
|
1.0
|
CD2
|
B:HIS583
|
3.6
|
58.8
|
1.0
|
CE1
|
B:HIS583
|
3.9
|
58.4
|
1.0
|
O
|
B:GLY580
|
4.3
|
53.3
|
1.0
|
OD2
|
B:ASP536
|
4.3
|
68.6
|
1.0
|
CD
|
B:LYS535
|
4.5
|
49.7
|
1.0
|
OD1
|
B:ASP536
|
4.5
|
69.3
|
1.0
|
CG
|
B:HIS583
|
4.8
|
59.3
|
1.0
|
CD1
|
B:PHE532
|
4.8
|
40.0
|
1.0
|
CG
|
B:ASP536
|
4.9
|
68.7
|
1.0
|
ND1
|
B:HIS583
|
4.9
|
58.6
|
1.0
|
|
Cadmium binding site 8 out
of 48 in 8x8f
Go back to
Cadmium Binding Sites List in 8x8f
Cadmium binding site 8 out
of 48 in the Crystal Structure of Lipoxygenase From Enhygromyxa Salina
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_08.jpg) Mono view
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_08_stereo.jpg) Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 8 of Crystal Structure of Lipoxygenase From Enhygromyxa Salina within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cd704
b:133.1
occ:1.00
|
ND1
|
B:HIS412
|
3.2
|
44.4
|
1.0
|
CG
|
B:HIS412
|
3.8
|
43.3
|
1.0
|
CB
|
B:HIS412
|
3.9
|
42.7
|
1.0
|
CA
|
B:GLU409
|
4.1
|
69.0
|
1.0
|
CE1
|
B:HIS412
|
4.1
|
44.2
|
1.0
|
CB
|
B:GLU409
|
4.3
|
72.4
|
1.0
|
O
|
B:GLU409
|
4.5
|
68.3
|
1.0
|
NE2
|
B:GLN413
|
4.5
|
41.4
|
1.0
|
OE1
|
B:GLU409
|
4.6
|
76.3
|
1.0
|
O
|
B:ILE408
|
4.7
|
56.4
|
1.0
|
C
|
B:GLU409
|
4.8
|
67.8
|
1.0
|
CD2
|
B:HIS412
|
4.8
|
43.8
|
1.0
|
NE2
|
B:HIS412
|
4.9
|
43.9
|
1.0
|
N
|
B:GLU409
|
5.0
|
68.3
|
1.0
|
|
Cadmium binding site 9 out
of 48 in 8x8f
Go back to
Cadmium Binding Sites List in 8x8f
Cadmium binding site 9 out
of 48 in the Crystal Structure of Lipoxygenase From Enhygromyxa Salina
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_09.jpg) Mono view
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_09_stereo.jpg) Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 9 of Crystal Structure of Lipoxygenase From Enhygromyxa Salina within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cd701
b:64.1
occ:1.00
|
O
|
C:ILE650
|
2.7
|
36.4
|
1.0
|
NE2
|
C:HIS346
|
2.7
|
41.1
|
1.0
|
NE2
|
C:HIS351
|
2.7
|
40.9
|
1.0
|
NE2
|
C:HIS527
|
2.8
|
41.9
|
1.0
|
ND2
|
C:ASN531
|
2.9
|
32.2
|
1.0
|
OXT
|
C:ILE650
|
2.9
|
36.0
|
1.0
|
C
|
C:ILE650
|
3.2
|
37.0
|
1.0
|
CG
|
C:ASN531
|
3.4
|
32.0
|
1.0
|
CE1
|
C:HIS346
|
3.5
|
42.4
|
1.0
|
CD2
|
C:HIS351
|
3.5
|
40.9
|
1.0
|
CD2
|
C:HIS527
|
3.7
|
41.5
|
1.0
|
CE1
|
C:HIS527
|
3.8
|
42.5
|
1.0
|
CE1
|
C:HIS351
|
3.8
|
40.5
|
1.0
|
CD2
|
C:HIS346
|
3.8
|
39.6
|
1.0
|
CB
|
C:ASN531
|
3.9
|
30.9
|
1.0
|
OD1
|
C:ASN531
|
4.2
|
32.6
|
1.0
|
CG2
|
C:ILE648
|
4.7
|
33.3
|
1.0
|
ND1
|
C:HIS346
|
4.7
|
42.4
|
1.0
|
CA
|
C:ILE650
|
4.7
|
38.7
|
1.0
|
CG
|
C:HIS351
|
4.7
|
40.6
|
1.0
|
ND1
|
C:HIS351
|
4.8
|
40.8
|
1.0
|
CG
|
C:HIS346
|
4.9
|
40.1
|
1.0
|
ND1
|
C:HIS527
|
4.9
|
42.6
|
1.0
|
CG
|
C:HIS527
|
4.9
|
41.5
|
1.0
|
CA
|
C:ASN531
|
4.9
|
31.2
|
1.0
|
|
Cadmium binding site 10 out
of 48 in 8x8f
Go back to
Cadmium Binding Sites List in 8x8f
Cadmium binding site 10 out
of 48 in the Crystal Structure of Lipoxygenase From Enhygromyxa Salina
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_10.jpg) Mono view
![](/pictures/CD/pdb/x8/8x8f-CD-sphere_10_stereo.jpg) Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 10 of Crystal Structure of Lipoxygenase From Enhygromyxa Salina within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cd702
b:47.2
occ:1.00
|
OD1
|
C:ASP11
|
2.7
|
28.4
|
1.0
|
ND1
|
C:HIS368
|
2.8
|
50.3
|
1.0
|
OD2
|
C:ASP11
|
2.8
|
28.3
|
1.0
|
O
|
C:HOH803
|
2.9
|
69.8
|
1.0
|
CG
|
C:ASP11
|
3.1
|
28.3
|
1.0
|
CE1
|
C:HIS368
|
3.4
|
51.7
|
1.0
|
CG
|
C:HIS368
|
3.7
|
50.2
|
1.0
|
CB
|
C:HIS368
|
4.1
|
47.8
|
1.0
|
O
|
C:ARG13
|
4.3
|
43.0
|
1.0
|
NH1
|
C:ARG17
|
4.4
|
36.6
|
1.0
|
NE2
|
C:HIS368
|
4.4
|
51.6
|
1.0
|
CB
|
C:ARG13
|
4.4
|
43.2
|
1.0
|
CG2
|
C:THR6
|
4.6
|
41.5
|
1.0
|
CD
|
C:PRO12
|
4.6
|
62.1
|
1.0
|
CD2
|
C:HIS368
|
4.6
|
51.6
|
1.0
|
CB
|
C:ASP11
|
4.6
|
28.4
|
1.0
|
N
|
C:ARG13
|
4.7
|
43.2
|
1.0
|
OE1
|
C:GLN16
|
4.7
|
57.5
|
1.0
|
C
|
C:ARG13
|
4.9
|
43.3
|
1.0
|
CA
|
C:ARG13
|
4.9
|
43.8
|
1.0
|
|
Reference:
J.W.Kim,
P.W.Seo.
Crystal Structure of Lipoxygenase From Enhygromyxa Salina To Be Published.
Page generated: Tue Dec 10 18:58:03 2024
|