Iodine in PDB 8ing: Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution
Enzymatic activity of Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution
All present enzymatic activity of Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution:
1.11.1.7;
Protein crystallography data
The structure of Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution, PDB code: 8ing
was solved by
M.I.Ahmad,
V.Viswanathan,
M.Kumar,
R.P.Singh,
A.K.Singh,
M.Sinha,
P.Kaur,
P.Sharma,
S.Sharma,
T.P.Singh,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
35.33 /
1.98
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
54.052,
80.342,
76.121,
90,
102.82,
90
|
R / Rfree (%)
|
18.3 /
23.4
|
Other elements in 8ing:
The structure of Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution also contains other interesting chemical elements:
Iodine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
13;
Binding sites:
The binding sites of Iodine atom in the Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution
(pdb code 8ing). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 13 binding sites of Iodine where determined in the
Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution, PDB code: 8ing:
Jump to Iodine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iodine binding site 1 out
of 13 in 8ing
Go back to
Iodine Binding Sites List in 8ing
Iodine binding site 1 out
of 13 in the Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 1 of Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I617
b:25.3
occ:0.30
|
N
|
A:NO2605
|
0.3
|
15.8
|
0.7
|
O1
|
A:NO2605
|
1.0
|
19.1
|
0.7
|
O2
|
A:NO2605
|
1.3
|
16.5
|
0.7
|
O
|
A:NO604
|
2.8
|
40.0
|
1.0
|
NA
|
A:NA637
|
3.0
|
37.5
|
1.0
|
O
|
A:HOH706
|
3.3
|
53.4
|
1.0
|
O
|
A:HOH874
|
3.7
|
33.4
|
1.0
|
CG
|
A:GLU258
|
3.7
|
24.6
|
1.0
|
C4A
|
A:HEM626
|
3.7
|
23.4
|
1.0
|
CD
|
A:ARG255
|
3.8
|
25.6
|
1.0
|
NE2
|
A:HIS109
|
3.8
|
23.7
|
1.0
|
N
|
A:NO604
|
3.9
|
32.0
|
1.0
|
CE1
|
A:HIS109
|
3.9
|
22.0
|
1.0
|
C3A
|
A:HEM626
|
3.9
|
24.6
|
1.0
|
CB
|
A:ARG255
|
3.9
|
27.8
|
1.0
|
NA
|
A:HEM626
|
4.0
|
20.9
|
1.0
|
CB
|
A:GLU258
|
4.0
|
24.6
|
1.0
|
CHB
|
A:HEM626
|
4.0
|
20.9
|
1.0
|
CD
|
A:GLU258
|
4.1
|
25.6
|
1.0
|
CG
|
A:ARG255
|
4.1
|
27.2
|
1.0
|
C2A
|
A:HEM626
|
4.3
|
24.0
|
1.0
|
O
|
A:HOH711
|
4.3
|
29.1
|
0.4
|
C1A
|
A:HEM626
|
4.3
|
22.0
|
1.0
|
CMA
|
A:HEM626
|
4.4
|
26.0
|
1.0
|
OE1
|
A:GLU258
|
4.4
|
22.2
|
1.0
|
NE2
|
A:GLN105
|
4.5
|
22.0
|
1.0
|
C1B
|
A:HEM626
|
4.5
|
20.4
|
1.0
|
OE2
|
A:GLU258
|
4.6
|
26.0
|
1.0
|
O
|
A:HOH1007
|
4.6
|
42.9
|
1.0
|
O
|
A:NO630
|
4.9
|
46.8
|
1.0
|
O
|
A:ARG255
|
4.9
|
25.2
|
1.0
|
NE
|
A:ARG255
|
5.0
|
24.8
|
1.0
|
|
Iodine binding site 2 out
of 13 in 8ing
Go back to
Iodine Binding Sites List in 8ing
Iodine binding site 2 out
of 13 in the Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 2 of Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I618
b:51.8
occ:0.70
|
O
|
A:HOH920
|
2.0
|
53.0
|
1.0
|
N
|
A:THR425
|
3.6
|
56.4
|
1.0
|
CA
|
A:PRO236
|
3.6
|
35.5
|
1.0
|
N
|
A:PRO236
|
3.9
|
37.2
|
1.0
|
CB
|
A:PRO236
|
3.9
|
37.1
|
1.0
|
CB
|
A:PHE239
|
4.1
|
35.7
|
1.0
|
C
|
A:SER235
|
4.2
|
45.0
|
1.0
|
CA
|
A:THR425
|
4.3
|
61.9
|
1.0
|
O
|
A:SER235
|
4.3
|
39.5
|
1.0
|
CG
|
A:PHE239
|
4.4
|
37.3
|
1.0
|
CD
|
A:PRO236
|
4.5
|
36.5
|
1.0
|
CA
|
A:PRO424
|
4.5
|
41.8
|
1.0
|
C
|
A:PRO424
|
4.5
|
43.9
|
1.0
|
CB
|
A:PRO234
|
4.5
|
72.5
|
1.0
|
CD2
|
A:PHE239
|
4.6
|
39.6
|
1.0
|
CG
|
A:PRO234
|
4.7
|
72.5
|
1.0
|
OG1
|
A:THR425
|
4.8
|
72.7
|
1.0
|
CG
|
A:PRO236
|
4.8
|
38.3
|
1.0
|
N
|
A:SER235
|
4.8
|
59.3
|
1.0
|
C
|
A:PRO234
|
4.9
|
65.8
|
1.0
|
CB
|
A:PRO424
|
4.9
|
41.9
|
1.0
|
CZ
|
A:PHE422
|
4.9
|
36.8
|
1.0
|
O
|
A:PRO234
|
5.0
|
62.6
|
1.0
|
C
|
A:PRO236
|
5.0
|
31.5
|
1.0
|
|
Iodine binding site 3 out
of 13 in 8ing
Go back to
Iodine Binding Sites List in 8ing
Iodine binding site 3 out
of 13 in the Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 3 of Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I619
b:56.0
occ:0.50
|
OD1
|
A:ASN410
|
2.4
|
53.4
|
1.0
|
CG
|
A:ASN410
|
3.2
|
47.1
|
1.0
|
ND2
|
A:ASN473
|
3.7
|
30.7
|
1.0
|
ND2
|
A:ASN410
|
3.7
|
52.8
|
1.0
|
NZ
|
A:LYS479
|
3.9
|
50.1
|
1.0
|
O
|
A:HOH825
|
4.0
|
23.2
|
1.0
|
O
|
A:GLN409
|
4.0
|
28.5
|
1.0
|
OD1
|
A:ASN473
|
4.0
|
27.9
|
1.0
|
CB
|
A:LEU476
|
4.1
|
28.7
|
1.0
|
N
|
A:LEU476
|
4.1
|
27.8
|
1.0
|
CG
|
A:ASN473
|
4.3
|
27.9
|
1.0
|
CA
|
A:ASN410
|
4.3
|
30.3
|
1.0
|
CG2
|
A:ILE475
|
4.3
|
37.6
|
1.0
|
CB
|
A:ASN410
|
4.3
|
36.8
|
1.0
|
C
|
A:GLN409
|
4.3
|
29.6
|
1.0
|
CA
|
A:LEU476
|
4.4
|
28.0
|
1.0
|
N
|
A:ASN410
|
4.5
|
28.1
|
1.0
|
CB
|
A:ILE475
|
4.5
|
36.4
|
1.0
|
C
|
A:ILE475
|
4.8
|
30.0
|
1.0
|
O
|
A:HOH948
|
4.8
|
45.5
|
1.0
|
CB
|
A:GLN409
|
4.9
|
26.7
|
1.0
|
|
Iodine binding site 4 out
of 13 in 8ing
Go back to
Iodine Binding Sites List in 8ing
Iodine binding site 4 out
of 13 in the Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 4 of Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I620
b:26.3
occ:0.90
|
O
|
A:HOH857
|
3.3
|
30.4
|
1.0
|
N
|
A:TRP46
|
3.3
|
23.8
|
1.0
|
N
|
A:VAL342
|
3.5
|
19.2
|
1.0
|
CH2
|
A:TRP452
|
3.7
|
25.3
|
1.0
|
CA
|
A:ARG45
|
3.8
|
26.8
|
1.0
|
CZ2
|
A:TRP452
|
3.9
|
25.4
|
1.0
|
CB
|
A:ASN341
|
3.9
|
23.1
|
1.0
|
CB
|
A:VAL342
|
4.0
|
19.4
|
1.0
|
O
|
A:ALA44
|
4.0
|
22.6
|
1.0
|
C
|
A:ARG45
|
4.0
|
27.6
|
1.0
|
N
|
A:ASN341
|
4.1
|
22.5
|
1.0
|
N
|
A:LEU47
|
4.1
|
24.7
|
1.0
|
CE
|
A:MET446
|
4.2
|
24.1
|
1.0
|
CG1
|
A:VAL342
|
4.2
|
22.6
|
1.0
|
CB
|
A:TRP46
|
4.3
|
23.7
|
1.0
|
O
|
A:LEU47
|
4.3
|
26.1
|
1.0
|
CA
|
A:TRP46
|
4.3
|
25.1
|
1.0
|
CA
|
A:ASN341
|
4.3
|
21.6
|
1.0
|
CA
|
A:VAL342
|
4.3
|
21.6
|
1.0
|
C
|
A:ASN341
|
4.4
|
20.8
|
1.0
|
CD
|
A:ARG45
|
4.6
|
27.1
|
1.0
|
CB
|
A:SER340
|
4.6
|
22.1
|
1.0
|
NH1
|
A:ARG45
|
4.7
|
24.2
|
1.0
|
CB
|
A:ARG45
|
4.7
|
28.2
|
1.0
|
C
|
A:TRP46
|
4.7
|
25.2
|
1.0
|
N
|
A:ARG45
|
4.8
|
25.2
|
1.0
|
C
|
A:ALA44
|
4.8
|
26.0
|
1.0
|
CG
|
A:TRP46
|
4.8
|
24.4
|
1.0
|
SD
|
A:MET446
|
4.9
|
25.4
|
1.0
|
CZ3
|
A:TRP452
|
4.9
|
22.2
|
1.0
|
C
|
A:SER340
|
5.0
|
22.1
|
1.0
|
|
Iodine binding site 5 out
of 13 in 8ing
Go back to
Iodine Binding Sites List in 8ing
Iodine binding site 5 out
of 13 in the Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 5 of Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I621
b:43.5
occ:0.35
|
O1
|
A:NO3615
|
0.7
|
28.9
|
0.7
|
N
|
A:NO3615
|
0.7
|
27.8
|
0.7
|
O3
|
A:NO3615
|
1.4
|
35.0
|
0.7
|
O2
|
A:NO3615
|
1.9
|
33.6
|
0.7
|
N
|
A:PHE229
|
3.7
|
35.4
|
1.0
|
OE2
|
A:GLU218
|
3.9
|
76.1
|
1.0
|
N
|
A:GLN217
|
3.9
|
39.3
|
1.0
|
O
|
A:HOH703
|
4.0
|
43.5
|
1.0
|
CD2
|
A:PHE229
|
4.0
|
45.1
|
1.0
|
CG
|
A:ASN216
|
4.1
|
40.8
|
1.0
|
OD1
|
A:ASN216
|
4.1
|
37.9
|
1.0
|
ND2
|
A:ASN216
|
4.1
|
37.0
|
1.0
|
CG
|
A:GLU218
|
4.2
|
60.5
|
1.0
|
CA
|
A:ASN216
|
4.2
|
39.5
|
1.0
|
CB
|
A:PHE229
|
4.3
|
38.9
|
1.0
|
CA
|
A:PRO228
|
4.3
|
38.5
|
1.0
|
CD
|
A:GLU218
|
4.4
|
67.6
|
1.0
|
CG
|
A:PHE229
|
4.5
|
41.0
|
1.0
|
C
|
A:PRO228
|
4.5
|
37.2
|
1.0
|
CA
|
A:PHE229
|
4.6
|
35.9
|
1.0
|
CB
|
A:PRO228
|
4.6
|
39.8
|
1.0
|
C
|
A:ASN216
|
4.6
|
38.8
|
1.0
|
N
|
A:GLU218
|
4.7
|
50.0
|
1.0
|
CB
|
A:ASN216
|
4.8
|
38.0
|
1.0
|
O
|
A:PHE229
|
4.9
|
45.3
|
1.0
|
CE2
|
A:PHE229
|
4.9
|
45.0
|
1.0
|
CB
|
A:GLN217
|
4.9
|
44.4
|
1.0
|
CA
|
A:GLN217
|
4.9
|
46.7
|
1.0
|
CB
|
A:GLU218
|
5.0
|
54.0
|
1.0
|
|
Iodine binding site 6 out
of 13 in 8ing
Go back to
Iodine Binding Sites List in 8ing
Iodine binding site 6 out
of 13 in the Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 6 of Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I622
b:34.0
occ:0.45
|
N
|
A:NO3613
|
0.4
|
20.3
|
0.6
|
O1
|
A:NO3613
|
1.0
|
21.7
|
0.6
|
O2
|
A:NO3613
|
1.1
|
22.0
|
0.6
|
O3
|
A:NO3613
|
1.6
|
23.2
|
0.6
|
N
|
A:SEP198
|
3.8
|
37.3
|
1.0
|
CD
|
A:PRO197
|
3.9
|
44.7
|
1.0
|
CB
|
A:SEP198
|
4.0
|
44.9
|
1.0
|
CB
|
A:GLU196
|
4.1
|
42.0
|
1.0
|
N
|
A:PRO197
|
4.2
|
45.6
|
1.0
|
CG
|
A:PRO197
|
4.3
|
45.0
|
1.0
|
CB
|
A:PRO197
|
4.4
|
46.4
|
1.0
|
CA
|
A:SEP198
|
4.5
|
40.1
|
1.0
|
C
|
A:PRO197
|
4.7
|
35.6
|
1.0
|
CA
|
A:PRO197
|
4.7
|
43.0
|
1.0
|
C
|
A:GLU196
|
4.8
|
40.9
|
1.0
|
CA
|
A:GLU196
|
4.9
|
39.4
|
1.0
|
CG
|
A:GLU196
|
5.0
|
46.9
|
1.0
|
|
Iodine binding site 7 out
of 13 in 8ing
Go back to
Iodine Binding Sites List in 8ing
Iodine binding site 7 out
of 13 in the Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 7 of Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I623
b:35.6
occ:0.50
|
N
|
A:NO3614
|
0.7
|
17.3
|
0.4
|
O1
|
A:NO3614
|
1.0
|
15.9
|
0.4
|
O3
|
A:NO3614
|
1.2
|
16.3
|
0.4
|
O2
|
A:NO3614
|
1.9
|
22.1
|
0.4
|
O
|
A:HOH704
|
3.0
|
46.2
|
1.0
|
ND2
|
A:ASN80
|
3.5
|
31.6
|
1.0
|
CG
|
A:PRO145
|
3.8
|
33.1
|
1.0
|
CB
|
A:ASN80
|
3.8
|
28.2
|
1.0
|
CG
|
A:ASN80
|
4.2
|
31.0
|
1.0
|
O
|
A:LYS146
|
4.3
|
50.9
|
1.0
|
CB
|
A:PRO145
|
4.4
|
34.2
|
1.0
|
CE
|
A:LYS81
|
4.4
|
42.9
|
1.0
|
CG
|
A:GLU77
|
4.4
|
31.1
|
1.0
|
CG
|
A:LYS81
|
4.5
|
35.0
|
1.0
|
CD
|
A:LYS81
|
4.6
|
36.9
|
1.0
|
CA
|
A:GLU77
|
4.7
|
26.3
|
1.0
|
O
|
A:GLU77
|
4.9
|
30.6
|
1.0
|
CB
|
A:GLU77
|
4.9
|
26.9
|
1.0
|
CD
|
A:GLU77
|
5.0
|
36.9
|
1.0
|
|
Iodine binding site 8 out
of 13 in 8ing
Go back to
Iodine Binding Sites List in 8ing
Iodine binding site 8 out
of 13 in the Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 8 of Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I624
b:30.6
occ:0.40
|
N
|
A:NO3612
|
0.6
|
19.6
|
0.5
|
O1
|
A:NO3612
|
1.0
|
20.1
|
0.5
|
O3
|
A:NO3612
|
1.2
|
19.9
|
0.5
|
O2
|
A:NO3612
|
1.7
|
22.4
|
0.5
|
NE
|
A:ARG397
|
3.4
|
42.2
|
1.0
|
N
|
A:THR560
|
3.7
|
38.4
|
1.0
|
O
|
A:GLU363
|
3.8
|
40.5
|
1.0
|
NH2
|
A:ARG397
|
3.8
|
41.4
|
1.0
|
OG1
|
A:THR560
|
3.9
|
41.7
|
1.0
|
CA
|
A:GLU363
|
3.9
|
44.2
|
1.0
|
N
|
A:LYS561
|
4.0
|
41.2
|
1.0
|
CZ
|
A:ARG397
|
4.1
|
39.6
|
1.0
|
CG
|
A:LYS561
|
4.1
|
51.8
|
1.0
|
CA
|
A:VAL559
|
4.2
|
35.8
|
1.0
|
CB
|
A:GLU363
|
4.2
|
47.8
|
1.0
|
CB
|
A:LYS561
|
4.2
|
45.3
|
1.0
|
CG
|
A:GLU363
|
4.2
|
53.7
|
1.0
|
CG1
|
A:VAL559
|
4.2
|
33.6
|
1.0
|
CD
|
A:ARG397
|
4.3
|
41.6
|
1.0
|
CE1
|
A:TYR365
|
4.3
|
37.3
|
1.0
|
C
|
A:GLU363
|
4.3
|
37.5
|
1.0
|
C
|
A:VAL559
|
4.4
|
38.1
|
1.0
|
CA
|
A:THR560
|
4.6
|
40.4
|
1.0
|
CA
|
A:LYS561
|
4.7
|
40.2
|
1.0
|
C
|
A:THR560
|
4.7
|
39.7
|
1.0
|
O
|
A:LYS561
|
4.7
|
35.4
|
1.0
|
CB
|
A:VAL559
|
4.7
|
34.1
|
1.0
|
CB
|
A:THR560
|
4.8
|
42.7
|
1.0
|
O
|
A:HIS558
|
4.9
|
46.0
|
1.0
|
CD1
|
A:TYR365
|
5.0
|
37.1
|
1.0
|
|
Iodine binding site 9 out
of 13 in 8ing
Go back to
Iodine Binding Sites List in 8ing
Iodine binding site 9 out
of 13 in the Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 9 of Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I625
b:40.6
occ:0.30
|
N
|
A:NO3607
|
0.8
|
33.8
|
0.7
|
O2
|
A:NO3607
|
1.0
|
30.8
|
0.7
|
O1
|
A:NO3607
|
1.3
|
30.7
|
0.7
|
O3
|
A:NO3607
|
2.0
|
43.2
|
0.7
|
OG1
|
A:THR463
|
3.6
|
37.3
|
1.0
|
O
|
A:HOH804
|
3.6
|
55.7
|
1.0
|
N
|
A:LYS462
|
3.7
|
40.0
|
1.0
|
CA
|
A:GLY466
|
3.8
|
34.1
|
1.0
|
N
|
A:THR463
|
4.1
|
38.8
|
1.0
|
CA
|
A:PRO461
|
4.3
|
37.6
|
1.0
|
N
|
A:GLY466
|
4.3
|
31.0
|
1.0
|
CG2
|
A:THR463
|
4.3
|
39.1
|
1.0
|
CB
|
A:THR463
|
4.4
|
38.5
|
1.0
|
C
|
A:PRO461
|
4.5
|
40.0
|
1.0
|
CA
|
A:LYS462
|
4.6
|
39.9
|
1.0
|
CB
|
A:LYS462
|
4.7
|
44.5
|
1.0
|
C
|
A:LYS462
|
4.8
|
39.9
|
1.0
|
O
|
A:HOH773
|
4.8
|
47.1
|
1.0
|
CA
|
A:THR463
|
4.8
|
38.8
|
1.0
|
CB
|
A:PRO461
|
4.9
|
39.5
|
1.0
|
C
|
A:GLY466
|
5.0
|
27.9
|
1.0
|
|
Iodine binding site 10 out
of 13 in 8ing
Go back to
Iodine Binding Sites List in 8ing
Iodine binding site 10 out
of 13 in the Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 10 of Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I633
b:37.2
occ:0.80
|
O
|
A:HOH1045
|
1.2
|
18.2
|
1.0
|
NE1
|
A:TRP530
|
3.6
|
32.8
|
1.0
|
CZ2
|
A:TRP530
|
3.8
|
35.3
|
1.0
|
CB
|
A:PHE309
|
3.8
|
29.3
|
1.0
|
CE2
|
A:TRP530
|
4.1
|
33.3
|
1.0
|
CA
|
A:ILE306
|
4.3
|
29.1
|
1.0
|
CZ2
|
A:TRP529
|
4.4
|
33.4
|
1.0
|
N
|
A:ARG310
|
4.4
|
32.7
|
1.0
|
CG1
|
A:ILE306
|
4.5
|
32.1
|
1.0
|
O
|
A:ILE306
|
4.6
|
32.4
|
1.0
|
C
|
A:PHE309
|
4.7
|
26.8
|
1.0
|
CB
|
A:ARG310
|
4.7
|
35.6
|
1.0
|
O
|
A:GLN305
|
4.7
|
26.3
|
1.0
|
CA
|
A:PHE309
|
4.7
|
26.9
|
1.0
|
CD1
|
A:TRP530
|
4.8
|
32.6
|
1.0
|
CB
|
A:ILE306
|
4.8
|
29.9
|
1.0
|
CA
|
A:ARG310
|
4.9
|
33.4
|
1.0
|
CG
|
A:PHE309
|
5.0
|
26.3
|
1.0
|
CG2
|
A:ILE306
|
5.0
|
30.9
|
1.0
|
|
Reference:
M.I.Ahmad,
V.Viswanathan,
M.Kumar,
R.P.Singh,
A.K.Singh,
M.Sinha,
P.Kaur,
P.Sharma,
S.Sharma,
T.P.Singh.
Structure of the Ternary Complex of Lactoperoxidase with Substrate Nitric Oxide (No) and Product Nitrite Ion (NO2) at 1.98 A Resolution To Be Published.
Page generated: Mon Aug 12 02:47:57 2024
|