Iron in PDB 2xsh: Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl
Enzymatic activity of Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl
All present enzymatic activity of Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl:
1.14.12.18;
Protein crystallography data
The structure of Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl, PDB code: 2xsh
was solved by
P.Kumar,
J.T.Bolin,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
138.68 /
2.29
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
86.728,
276.762,
92.317,
90.00,
117.37,
90.00
|
R / Rfree (%)
|
18.571 /
24.456
|
Other elements in 2xsh:
The structure of Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl also contains other interesting chemical elements:
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
18;
Binding sites:
The binding sites of Iron atom in the Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl
(pdb code 2xsh). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 18 binding sites of Iron where determined in the
Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl, PDB code: 2xsh:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 18 in 2xsh
Go back to
Iron Binding Sites List in 2xsh
Iron binding site 1 out
of 18 in the Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe900
b:38.8
occ:1.00
|
FE1
|
A:FES900
|
0.0
|
38.8
|
1.0
|
ND1
|
A:HIS123
|
2.1
|
34.2
|
1.0
|
ND1
|
A:HIS102
|
2.1
|
37.8
|
1.0
|
S2
|
A:FES900
|
2.2
|
40.2
|
1.0
|
S1
|
A:FES900
|
2.2
|
39.2
|
1.0
|
FE2
|
A:FES900
|
2.9
|
39.2
|
1.0
|
CG
|
A:HIS123
|
3.0
|
35.6
|
1.0
|
CE1
|
A:HIS102
|
3.0
|
38.5
|
1.0
|
CE1
|
A:HIS123
|
3.0
|
34.0
|
1.0
|
CG
|
A:HIS102
|
3.1
|
38.5
|
1.0
|
CB
|
A:HIS123
|
3.3
|
37.4
|
1.0
|
CB
|
A:HIS102
|
3.5
|
37.4
|
1.0
|
N
|
A:HIS123
|
3.7
|
36.2
|
1.0
|
CA
|
A:HIS123
|
4.1
|
37.3
|
1.0
|
NE2
|
A:HIS123
|
4.1
|
34.3
|
1.0
|
CB
|
A:TYR122
|
4.1
|
34.1
|
1.0
|
CD2
|
A:HIS123
|
4.1
|
34.1
|
1.0
|
NE2
|
A:HIS102
|
4.1
|
39.6
|
1.0
|
N
|
A:ARG103
|
4.2
|
36.2
|
1.0
|
CD2
|
A:HIS102
|
4.2
|
39.0
|
1.0
|
CB
|
A:ARG103
|
4.4
|
35.8
|
1.0
|
CG
|
A:TYR122
|
4.4
|
33.9
|
1.0
|
C
|
A:TYR122
|
4.5
|
36.0
|
1.0
|
SG
|
A:CYS120
|
4.5
|
36.9
|
1.0
|
CD1
|
A:TYR122
|
4.5
|
32.5
|
1.0
|
SG
|
A:CYS100
|
4.7
|
36.5
|
1.0
|
CA
|
A:HIS102
|
4.7
|
37.3
|
1.0
|
C
|
A:HIS102
|
4.7
|
36.9
|
1.0
|
CA
|
A:ARG103
|
4.9
|
35.5
|
1.0
|
CA
|
A:TYR122
|
4.9
|
34.8
|
1.0
|
C
|
A:HIS123
|
4.9
|
38.2
|
1.0
|
|
Iron binding site 2 out
of 18 in 2xsh
Go back to
Iron Binding Sites List in 2xsh
Iron binding site 2 out
of 18 in the Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe900
b:39.2
occ:1.00
|
FE2
|
A:FES900
|
0.0
|
39.2
|
1.0
|
S2
|
A:FES900
|
2.2
|
40.2
|
1.0
|
S1
|
A:FES900
|
2.2
|
39.2
|
1.0
|
SG
|
A:CYS120
|
2.3
|
36.9
|
1.0
|
SG
|
A:CYS100
|
2.4
|
36.5
|
1.0
|
FE1
|
A:FES900
|
2.9
|
38.8
|
1.0
|
CB
|
A:CYS100
|
3.0
|
35.4
|
1.0
|
CB
|
A:CYS120
|
3.1
|
37.6
|
1.0
|
CB
|
A:HIS102
|
4.2
|
37.4
|
1.0
|
CB
|
A:MET105
|
4.2
|
29.9
|
1.0
|
ND1
|
A:HIS102
|
4.5
|
37.8
|
1.0
|
CB
|
A:TYR122
|
4.5
|
34.1
|
1.0
|
CA
|
A:CYS100
|
4.5
|
35.6
|
1.0
|
N
|
A:HIS123
|
4.6
|
36.2
|
1.0
|
CB
|
A:TRP125
|
4.6
|
37.4
|
1.0
|
CA
|
A:CYS120
|
4.6
|
37.3
|
1.0
|
ND1
|
A:HIS123
|
4.7
|
34.2
|
1.0
|
N
|
A:ARG103
|
4.7
|
36.2
|
1.0
|
N
|
A:MET105
|
4.8
|
31.6
|
1.0
|
CG
|
A:TRP125
|
4.8
|
37.0
|
1.0
|
CG
|
A:HIS102
|
4.8
|
38.5
|
1.0
|
|
Iron binding site 3 out
of 18 in 2xsh
Go back to
Iron Binding Sites List in 2xsh
Iron binding site 3 out
of 18 in the Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe901
b:34.6
occ:1.00
|
NE2
|
A:HIS239
|
2.1
|
33.1
|
1.0
|
OD1
|
A:ASP388
|
2.1
|
36.7
|
1.0
|
NE2
|
A:HIS233
|
2.2
|
34.1
|
1.0
|
O
|
A:HOH2109
|
2.3
|
47.1
|
1.0
|
OD2
|
A:ASP388
|
2.5
|
36.5
|
1.0
|
CG
|
A:ASP388
|
2.6
|
35.8
|
1.0
|
OE1
|
A:GLN226
|
2.9
|
36.3
|
1.0
|
CE1
|
A:HIS239
|
2.9
|
31.6
|
1.0
|
CD2
|
A:HIS233
|
3.2
|
32.5
|
1.0
|
CD2
|
A:HIS239
|
3.2
|
33.4
|
1.0
|
CE1
|
A:HIS233
|
3.2
|
30.5
|
1.0
|
CD
|
A:GLN226
|
3.6
|
33.9
|
1.0
|
NE2
|
A:GLN226
|
3.9
|
32.2
|
1.0
|
ND1
|
A:HIS239
|
4.1
|
30.4
|
1.0
|
CB
|
A:ASP388
|
4.1
|
34.8
|
1.0
|
CG
|
A:HIS239
|
4.2
|
33.0
|
1.0
|
ND1
|
A:HIS233
|
4.3
|
33.4
|
1.0
|
CG
|
A:HIS233
|
4.3
|
33.0
|
1.0
|
CL1
|
A:DC5902
|
4.4
|
61.5
|
1.0
|
CA5
|
A:DC5902
|
4.6
|
55.1
|
1.0
|
CG2
|
A:THR238
|
4.6
|
30.9
|
1.0
|
CG
|
A:GLN226
|
4.8
|
32.4
|
1.0
|
CA6
|
A:DC5902
|
4.9
|
56.2
|
1.0
|
CA4
|
A:DC5902
|
4.9
|
55.2
|
1.0
|
CA
|
A:ASP388
|
4.9
|
34.8
|
1.0
|
|
Iron binding site 4 out
of 18 in 2xsh
Go back to
Iron Binding Sites List in 2xsh
Iron binding site 4 out
of 18 in the Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe900
b:31.8
occ:1.00
|
FE1
|
C:FES900
|
0.0
|
31.8
|
1.0
|
ND1
|
C:HIS123
|
2.0
|
30.8
|
1.0
|
S2
|
C:FES900
|
2.2
|
33.1
|
1.0
|
S1
|
C:FES900
|
2.2
|
27.9
|
1.0
|
ND1
|
C:HIS102
|
2.2
|
29.5
|
1.0
|
FE2
|
C:FES900
|
2.8
|
32.6
|
1.0
|
CG
|
C:HIS123
|
3.0
|
32.4
|
1.0
|
CE1
|
C:HIS123
|
3.0
|
31.8
|
1.0
|
CE1
|
C:HIS102
|
3.2
|
32.2
|
1.0
|
CG
|
C:HIS102
|
3.3
|
32.1
|
1.0
|
CB
|
C:HIS123
|
3.3
|
33.6
|
1.0
|
CB
|
C:HIS102
|
3.6
|
32.2
|
1.0
|
N
|
C:HIS123
|
3.7
|
32.6
|
1.0
|
NE2
|
C:HIS123
|
4.1
|
30.7
|
1.0
|
CA
|
C:HIS123
|
4.1
|
33.8
|
1.0
|
CD2
|
C:HIS123
|
4.1
|
32.2
|
1.0
|
CB
|
C:TYR122
|
4.1
|
31.0
|
1.0
|
N
|
C:ARG103
|
4.2
|
31.4
|
1.0
|
NE2
|
C:HIS102
|
4.3
|
33.1
|
1.0
|
CD2
|
C:HIS102
|
4.4
|
34.0
|
1.0
|
CB
|
C:ARG103
|
4.4
|
30.8
|
1.0
|
CG
|
C:TYR122
|
4.4
|
31.5
|
1.0
|
C
|
C:TYR122
|
4.5
|
32.1
|
1.0
|
SG
|
C:CYS120
|
4.5
|
33.1
|
1.0
|
CD1
|
C:TYR122
|
4.6
|
33.1
|
1.0
|
SG
|
C:CYS100
|
4.6
|
32.0
|
1.0
|
C
|
C:HIS102
|
4.7
|
32.0
|
1.0
|
CA
|
C:HIS102
|
4.7
|
32.1
|
1.0
|
CA
|
C:ARG103
|
4.8
|
30.9
|
1.0
|
CA
|
C:TYR122
|
4.9
|
31.3
|
1.0
|
C
|
C:HIS123
|
4.9
|
34.9
|
1.0
|
|
Iron binding site 5 out
of 18 in 2xsh
Go back to
Iron Binding Sites List in 2xsh
Iron binding site 5 out
of 18 in the Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe900
b:32.6
occ:1.00
|
FE2
|
C:FES900
|
0.0
|
32.6
|
1.0
|
S1
|
C:FES900
|
2.2
|
27.9
|
1.0
|
S2
|
C:FES900
|
2.2
|
33.1
|
1.0
|
SG
|
C:CYS120
|
2.4
|
33.1
|
1.0
|
SG
|
C:CYS100
|
2.4
|
32.0
|
1.0
|
FE1
|
C:FES900
|
2.8
|
31.8
|
1.0
|
CB
|
C:CYS100
|
3.1
|
30.1
|
1.0
|
CB
|
C:CYS120
|
3.2
|
33.5
|
1.0
|
CB
|
C:HIS102
|
4.2
|
32.2
|
1.0
|
CB
|
C:MET105
|
4.3
|
28.0
|
1.0
|
CB
|
C:TYR122
|
4.4
|
31.0
|
1.0
|
ND1
|
C:HIS102
|
4.5
|
29.5
|
1.0
|
CB
|
C:TRP125
|
4.5
|
36.0
|
1.0
|
N
|
C:HIS123
|
4.5
|
32.6
|
1.0
|
CA
|
C:CYS100
|
4.6
|
30.2
|
1.0
|
ND1
|
C:HIS123
|
4.6
|
30.8
|
1.0
|
CA
|
C:CYS120
|
4.7
|
33.8
|
1.0
|
N
|
C:ARG103
|
4.7
|
31.4
|
1.0
|
CG
|
C:TRP125
|
4.8
|
36.2
|
1.0
|
CG
|
C:HIS102
|
4.8
|
32.1
|
1.0
|
N
|
C:MET105
|
4.8
|
29.5
|
1.0
|
|
Iron binding site 6 out
of 18 in 2xsh
Go back to
Iron Binding Sites List in 2xsh
Iron binding site 6 out
of 18 in the Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe901
b:37.4
occ:1.00
|
O
|
C:HOH2073
|
1.8
|
43.7
|
1.0
|
NE2
|
C:HIS239
|
2.0
|
39.2
|
1.0
|
OD1
|
C:ASP388
|
2.0
|
41.7
|
1.0
|
NE2
|
C:HIS233
|
2.2
|
38.4
|
1.0
|
OD2
|
C:ASP388
|
2.4
|
40.5
|
1.0
|
CG
|
C:ASP388
|
2.5
|
40.1
|
1.0
|
CE1
|
C:HIS239
|
3.0
|
39.1
|
1.0
|
CD2
|
C:HIS239
|
3.0
|
37.6
|
1.0
|
OE1
|
C:GLN226
|
3.0
|
42.9
|
1.0
|
CD2
|
C:HIS233
|
3.1
|
38.7
|
1.0
|
CE1
|
C:HIS233
|
3.3
|
37.5
|
1.0
|
CD
|
C:GLN226
|
3.5
|
40.5
|
1.0
|
NE2
|
C:GLN226
|
3.5
|
37.8
|
1.0
|
CB
|
C:ASP388
|
4.0
|
39.1
|
1.0
|
ND1
|
C:HIS239
|
4.1
|
37.9
|
1.0
|
CG
|
C:HIS239
|
4.1
|
37.8
|
1.0
|
CL1
|
C:DC5902
|
4.2
|
74.8
|
1.0
|
CG2
|
C:THR238
|
4.3
|
37.3
|
1.0
|
CG
|
C:HIS233
|
4.3
|
39.3
|
1.0
|
ND1
|
C:HIS233
|
4.4
|
38.4
|
1.0
|
CA5
|
C:DC5902
|
4.7
|
71.7
|
1.0
|
CG
|
C:GLN226
|
4.7
|
39.0
|
1.0
|
CA
|
C:ASP388
|
4.8
|
39.2
|
1.0
|
CA6
|
C:DC5902
|
4.9
|
72.1
|
1.0
|
|
Iron binding site 7 out
of 18 in 2xsh
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Iron Binding Sites List in 2xsh
Iron binding site 7 out
of 18 in the Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe901
b:38.8
occ:1.00
|
FE1
|
E:FES901
|
0.0
|
38.8
|
1.0
|
ND1
|
E:HIS123
|
2.1
|
32.8
|
1.0
|
ND1
|
E:HIS102
|
2.1
|
36.8
|
1.0
|
S2
|
E:FES901
|
2.2
|
40.0
|
1.0
|
S1
|
E:FES901
|
2.2
|
38.4
|
1.0
|
FE2
|
E:FES901
|
2.9
|
36.6
|
1.0
|
CG
|
E:HIS123
|
3.0
|
34.1
|
1.0
|
CE1
|
E:HIS102
|
3.1
|
37.9
|
1.0
|
CG
|
E:HIS102
|
3.1
|
37.8
|
1.0
|
CE1
|
E:HIS123
|
3.1
|
32.3
|
1.0
|
CB
|
E:HIS123
|
3.2
|
36.1
|
1.0
|
CB
|
E:HIS102
|
3.4
|
36.6
|
1.0
|
N
|
E:HIS123
|
3.8
|
35.4
|
1.0
|
N
|
E:ARG103
|
4.1
|
35.4
|
1.0
|
CA
|
E:HIS123
|
4.1
|
36.3
|
1.0
|
CD2
|
E:HIS123
|
4.2
|
32.1
|
1.0
|
NE2
|
E:HIS123
|
4.2
|
32.8
|
1.0
|
NE2
|
E:HIS102
|
4.2
|
37.9
|
1.0
|
CD2
|
E:HIS102
|
4.2
|
38.8
|
1.0
|
CB
|
E:TYR122
|
4.3
|
32.8
|
1.0
|
CB
|
E:ARG103
|
4.4
|
34.6
|
1.0
|
SG
|
E:CYS100
|
4.5
|
38.4
|
1.0
|
CD1
|
E:TYR122
|
4.5
|
32.2
|
1.0
|
CG
|
E:TYR122
|
4.5
|
33.0
|
1.0
|
SG
|
E:CYS120
|
4.5
|
33.5
|
1.0
|
C
|
E:TYR122
|
4.6
|
34.8
|
1.0
|
CA
|
E:HIS102
|
4.7
|
36.4
|
1.0
|
C
|
E:HIS102
|
4.8
|
35.7
|
1.0
|
CA
|
E:ARG103
|
4.8
|
34.3
|
1.0
|
C
|
E:HIS123
|
4.9
|
37.4
|
1.0
|
CA
|
E:TYR122
|
5.0
|
34.1
|
1.0
|
|
Iron binding site 8 out
of 18 in 2xsh
Go back to
Iron Binding Sites List in 2xsh
Iron binding site 8 out
of 18 in the Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe901
b:36.6
occ:1.00
|
FE2
|
E:FES901
|
0.0
|
36.6
|
1.0
|
S2
|
E:FES901
|
2.2
|
40.0
|
1.0
|
S1
|
E:FES901
|
2.2
|
38.4
|
1.0
|
SG
|
E:CYS100
|
2.2
|
38.4
|
1.0
|
SG
|
E:CYS120
|
2.3
|
33.5
|
1.0
|
FE1
|
E:FES901
|
2.9
|
38.8
|
1.0
|
CB
|
E:CYS100
|
3.0
|
36.6
|
1.0
|
CB
|
E:CYS120
|
3.1
|
35.3
|
1.0
|
CB
|
E:HIS102
|
4.2
|
36.6
|
1.0
|
CB
|
E:MET105
|
4.3
|
31.0
|
1.0
|
CB
|
E:TRP125
|
4.5
|
39.0
|
1.0
|
CA
|
E:CYS100
|
4.5
|
36.7
|
1.0
|
CA
|
E:CYS120
|
4.5
|
35.2
|
1.0
|
ND1
|
E:HIS102
|
4.5
|
36.8
|
1.0
|
N
|
E:HIS123
|
4.5
|
35.4
|
1.0
|
CB
|
E:TYR122
|
4.6
|
32.8
|
1.0
|
ND1
|
E:HIS123
|
4.7
|
32.8
|
1.0
|
N
|
E:ARG103
|
4.8
|
35.4
|
1.0
|
CG
|
E:TRP125
|
4.8
|
38.9
|
1.0
|
CG
|
E:HIS102
|
4.9
|
37.8
|
1.0
|
OH
|
E:TYR127
|
4.9
|
39.0
|
1.0
|
N
|
E:MET105
|
4.9
|
32.0
|
1.0
|
|
Iron binding site 9 out
of 18 in 2xsh
Go back to
Iron Binding Sites List in 2xsh
Iron binding site 9 out
of 18 in the Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe902
b:40.1
occ:1.00
|
O
|
E:HOH2101
|
2.0
|
34.5
|
1.0
|
OD1
|
E:ASP388
|
2.1
|
42.6
|
1.0
|
NE2
|
E:HIS239
|
2.1
|
36.5
|
1.0
|
NE2
|
E:HIS233
|
2.2
|
36.1
|
1.0
|
OD2
|
E:ASP388
|
2.4
|
44.6
|
1.0
|
CG
|
E:ASP388
|
2.6
|
43.0
|
1.0
|
OE1
|
E:GLN226
|
2.7
|
40.7
|
1.0
|
CE1
|
E:HIS239
|
3.1
|
36.0
|
1.0
|
CD2
|
E:HIS233
|
3.1
|
36.6
|
1.0
|
CD2
|
E:HIS239
|
3.1
|
37.2
|
1.0
|
CE1
|
E:HIS233
|
3.2
|
36.9
|
1.0
|
CD
|
E:GLN226
|
3.5
|
39.5
|
1.0
|
NE2
|
E:GLN226
|
3.9
|
37.3
|
1.0
|
CB
|
E:ASP388
|
4.1
|
41.0
|
1.0
|
CL1
|
E:DC5900
|
4.1
|
76.5
|
1.0
|
ND1
|
E:HIS239
|
4.2
|
36.2
|
1.0
|
CG
|
E:HIS239
|
4.3
|
37.0
|
1.0
|
CG
|
E:HIS233
|
4.3
|
37.9
|
1.0
|
ND1
|
E:HIS233
|
4.3
|
38.4
|
1.0
|
CG2
|
E:THR238
|
4.6
|
34.4
|
1.0
|
CG
|
E:GLN226
|
4.7
|
39.1
|
1.0
|
CA5
|
E:DC5900
|
4.8
|
72.5
|
1.0
|
CA
|
E:ASP388
|
4.8
|
40.9
|
1.0
|
CA6
|
E:DC5900
|
5.0
|
73.2
|
1.0
|
CA4
|
E:DC5900
|
5.0
|
72.8
|
1.0
|
|
Iron binding site 10 out
of 18 in 2xsh
Go back to
Iron Binding Sites List in 2xsh
Iron binding site 10 out
of 18 in the Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Crystal Structure of P4 Variant of Biphenyl Dioxygenase From Burkholderia Xenovorans LB400 in Complex with 2,6 Di Chlorobiphenyl within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe900
b:73.0
occ:1.00
|
FE1
|
G:FES900
|
0.0
|
73.0
|
1.0
|
ND1
|
G:HIS123
|
1.8
|
65.2
|
1.0
|
S2
|
G:FES900
|
2.2
|
73.3
|
1.0
|
S1
|
G:FES900
|
2.2
|
72.9
|
1.0
|
ND1
|
G:HIS102
|
2.4
|
72.1
|
1.0
|
CG
|
G:HIS123
|
2.7
|
68.4
|
1.0
|
CE1
|
G:HIS123
|
2.8
|
64.7
|
1.0
|
CB
|
G:HIS123
|
3.1
|
71.5
|
1.0
|
FE2
|
G:FES900
|
3.1
|
74.3
|
1.0
|
CE1
|
G:HIS102
|
3.2
|
72.2
|
1.0
|
CG
|
G:HIS102
|
3.4
|
72.6
|
1.0
|
N
|
G:HIS123
|
3.5
|
68.2
|
1.0
|
O
|
G:HOH2019
|
3.7
|
0.7
|
1.0
|
CB
|
G:HIS102
|
3.8
|
72.8
|
1.0
|
CB
|
G:TYR122
|
3.8
|
62.2
|
1.0
|
CD2
|
G:HIS123
|
3.9
|
67.8
|
1.0
|
NE2
|
G:HIS123
|
3.9
|
66.0
|
1.0
|
CA
|
G:HIS123
|
3.9
|
71.0
|
1.0
|
CG
|
G:TYR122
|
4.1
|
61.4
|
1.0
|
C
|
G:TYR122
|
4.2
|
66.4
|
1.0
|
O
|
G:HOH2023
|
4.2
|
0.4
|
1.0
|
CD1
|
G:TYR122
|
4.2
|
59.7
|
1.0
|
N
|
G:ARG103
|
4.3
|
68.8
|
1.0
|
NE2
|
G:HIS102
|
4.3
|
72.2
|
1.0
|
CB
|
G:ARG103
|
4.4
|
67.4
|
1.0
|
CD2
|
G:HIS102
|
4.5
|
72.7
|
1.0
|
SG
|
G:CYS120
|
4.5
|
66.0
|
1.0
|
CA
|
G:TYR122
|
4.6
|
64.0
|
1.0
|
C
|
G:HIS123
|
4.8
|
73.3
|
1.0
|
CD2
|
G:TYR122
|
4.8
|
61.5
|
1.0
|
O
|
G:TYR122
|
4.9
|
66.9
|
1.0
|
CA
|
G:ARG103
|
4.9
|
67.2
|
1.0
|
SG
|
G:CYS100
|
4.9
|
69.3
|
1.0
|
|
Reference:
P.Kumar,
M.Mohammadi,
J.F.Viger,
D.Barriault,
L.Gomez-Gil,
L.D.Eltis,
J.T.Bolin,
M.Sylvestre.
Structural Insight Into the Expanded Pcb-Degrading Abilities of A Biphenyl Dioxygenase Obtained By Directed Evolution. J.Mol.Biol. V. 405 531 2011.
ISSN: ISSN 0022-2836
PubMed: 21073881
DOI: 10.1016/J.JMB.2010.11.009
Page generated: Sun Aug 4 04:40:47 2024
|