Iodine in PDB 3ogw: Structure of the Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A Resolution
Enzymatic activity of Structure of the Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A Resolution
All present enzymatic activity of Structure of the Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A Resolution:
1.11.1.7;
Protein crystallography data
The structure of Structure of the Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A Resolution, PDB code: 3ogw
was solved by
N.Pandey,
A.K.Singh,
M.Sinha,
R.P.Sing,
P.Kaur,
S.Sharma,
T.P.Singh,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
35.30 /
1.89
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
53.990,
79.930,
76.310,
90.00,
102.18,
90.00
|
R / Rfree (%)
|
22.4 /
27.2
|
Other elements in 3ogw:
The structure of Structure of the Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A Resolution also contains other interesting chemical elements:
Iodine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
14;
Binding sites:
The binding sites of Iodine atom in the Structure of the Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A Resolution
(pdb code 3ogw). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 14 binding sites of Iodine where determined in the
Structure of the Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A Resolution, PDB code: 3ogw:
Jump to Iodine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iodine binding site 1 out
of 14 in 3ogw
Go back to
Iodine Binding Sites List in 3ogw
Iodine binding site 1 out
of 14 in the Structure of the Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A 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 Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I707
b:17.3
occ:1.00
|
O
|
A:HOH696
|
3.3
|
18.2
|
1.0
|
N
|
A:TRP46
|
3.3
|
14.2
|
1.0
|
N
|
A:VAL342
|
3.5
|
10.2
|
1.0
|
CH2
|
A:TRP452
|
3.7
|
14.2
|
1.0
|
CB
|
A:ASN341
|
3.8
|
10.5
|
1.0
|
CA
|
A:ARG45
|
3.9
|
15.1
|
1.0
|
CB
|
A:VAL342
|
3.9
|
10.2
|
1.0
|
N
|
A:ASN341
|
3.9
|
9.6
|
1.0
|
CZ2
|
A:TRP452
|
4.0
|
11.3
|
1.0
|
O
|
A:ALA44
|
4.0
|
16.3
|
1.0
|
N
|
A:LEU47
|
4.0
|
12.1
|
1.0
|
C
|
A:ARG45
|
4.1
|
15.9
|
1.0
|
CG1
|
A:VAL342
|
4.1
|
10.4
|
1.0
|
CB
|
A:TRP46
|
4.1
|
12.3
|
1.0
|
CE
|
A:MET446
|
4.2
|
15.3
|
1.0
|
CA
|
A:ASN341
|
4.2
|
9.2
|
1.0
|
O
|
A:LEU47
|
4.2
|
13.3
|
1.0
|
CA
|
A:TRP46
|
4.2
|
13.4
|
1.0
|
CD
|
A:ARG45
|
4.2
|
16.2
|
1.0
|
CA
|
A:VAL342
|
4.3
|
10.0
|
1.0
|
C
|
A:ASN341
|
4.3
|
10.0
|
1.0
|
CB
|
A:SER340
|
4.5
|
10.5
|
1.0
|
C
|
A:TRP46
|
4.7
|
13.7
|
1.0
|
NH1
|
A:ARG45
|
4.7
|
12.0
|
1.0
|
CB
|
A:ARG45
|
4.7
|
15.0
|
1.0
|
CG
|
A:TRP46
|
4.8
|
12.8
|
1.0
|
C
|
A:SER340
|
4.8
|
10.2
|
1.0
|
C
|
A:ALA44
|
4.8
|
14.4
|
1.0
|
N
|
A:ARG45
|
4.9
|
13.8
|
1.0
|
CZ3
|
A:TRP452
|
4.9
|
12.8
|
1.0
|
CG
|
A:ARG45
|
5.0
|
14.0
|
1.0
|
|
Iodine binding site 2 out
of 14 in 3ogw
Go back to
Iodine Binding Sites List in 3ogw
Iodine binding site 2 out
of 14 in the Structure of the Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A 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 Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I708
b:32.9
occ:1.00
|
O
|
A:HOH622
|
3.6
|
37.9
|
1.0
|
ND2
|
A:ASN80
|
3.6
|
18.8
|
1.0
|
CG
|
A:PRO145
|
3.7
|
21.6
|
1.0
|
CB
|
A:ASN80
|
3.9
|
16.1
|
1.0
|
CB
|
A:PRO145
|
4.2
|
23.5
|
1.0
|
CE
|
A:LYS81
|
4.3
|
23.1
|
1.0
|
CG
|
A:ASN80
|
4.3
|
15.9
|
1.0
|
CG
|
A:GLU77
|
4.4
|
17.8
|
1.0
|
CA
|
A:GLU77
|
4.7
|
15.7
|
1.0
|
CG
|
A:LYS81
|
4.7
|
19.6
|
1.0
|
CD
|
A:LYS81
|
4.8
|
18.1
|
1.0
|
CB
|
A:ASN147
|
4.8
|
28.1
|
1.0
|
O
|
A:GLU77
|
4.8
|
15.1
|
1.0
|
CD
|
A:GLU77
|
4.9
|
22.6
|
1.0
|
CB
|
A:GLU77
|
4.9
|
16.9
|
1.0
|
NZ
|
A:LYS81
|
4.9
|
24.4
|
1.0
|
|
Iodine binding site 3 out
of 14 in 3ogw
Go back to
Iodine Binding Sites List in 3ogw
Iodine binding site 3 out
of 14 in the Structure of the Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A 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 Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I709
b:31.6
occ:0.70
|
O
|
A:HOH684
|
3.1
|
50.1
|
1.0
|
NH2
|
A:ARG506
|
3.8
|
25.4
|
1.0
|
O
|
A:HOH1086
|
3.8
|
40.7
|
1.0
|
NH1
|
A:ARG96
|
3.9
|
24.4
|
1.0
|
NH1
|
A:ARG506
|
3.9
|
24.3
|
1.0
|
NH2
|
A:ARG96
|
4.1
|
22.7
|
1.0
|
ND2
|
A:ASN95
|
4.1
|
36.5
|
1.0
|
O
|
A:HOH957
|
4.1
|
37.6
|
1.0
|
CZ
|
A:ARG506
|
4.3
|
23.5
|
1.0
|
CA
|
A:ARG504
|
4.3
|
25.2
|
1.0
|
CZ
|
A:ARG96
|
4.5
|
22.3
|
1.0
|
CG
|
A:ARG504
|
4.6
|
31.4
|
1.0
|
CB
|
A:ARG504
|
4.7
|
26.7
|
1.0
|
O2
|
A:GOL610
|
4.7
|
20.0
|
1.0
|
O
|
A:ARG504
|
4.7
|
23.3
|
1.0
|
O5
|
A:NAG596
|
4.7
|
44.0
|
1.0
|
CB
|
A:ASN95
|
4.7
|
27.2
|
1.0
|
C
|
A:ARG504
|
4.7
|
23.7
|
1.0
|
O
|
A:HOH880
|
4.8
|
30.4
|
1.0
|
O7
|
A:NAG596
|
4.8
|
47.3
|
1.0
|
C2
|
A:NAG596
|
4.8
|
45.1
|
1.0
|
O
|
A:HOH1025
|
4.9
|
45.2
|
1.0
|
O1
|
A:GOL610
|
4.9
|
20.0
|
1.0
|
C1
|
A:NAG596
|
4.9
|
42.0
|
1.0
|
CG
|
A:ASN95
|
5.0
|
31.1
|
1.0
|
|
Iodine binding site 4 out
of 14 in 3ogw
Go back to
Iodine Binding Sites List in 3ogw
Iodine binding site 4 out
of 14 in the Structure of the Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A 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 Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I710
b:35.5
occ:1.00
|
O
|
A:HOH761
|
3.6
|
28.6
|
1.0
|
NE1
|
A:TRP530
|
3.7
|
22.6
|
1.0
|
CB
|
A:PHE309
|
3.9
|
19.5
|
1.0
|
CZ2
|
A:TRP530
|
4.1
|
26.4
|
1.0
|
CE2
|
A:TRP530
|
4.2
|
26.5
|
1.0
|
N
|
A:ARG310
|
4.3
|
22.4
|
1.0
|
CZ2
|
A:TRP529
|
4.5
|
28.6
|
1.0
|
CB
|
A:ARG310
|
4.5
|
25.1
|
1.0
|
CA
|
A:ILE306
|
4.5
|
22.8
|
1.0
|
C
|
A:PHE309
|
4.6
|
21.1
|
1.0
|
O
|
A:ILE306
|
4.7
|
22.1
|
1.0
|
O
|
A:HOH1169
|
4.7
|
36.2
|
1.0
|
CG1
|
A:ILE306
|
4.8
|
26.8
|
1.0
|
CA
|
A:PHE309
|
4.8
|
19.4
|
1.0
|
CA
|
A:ARG310
|
4.8
|
23.8
|
1.0
|
O
|
A:GLN305
|
4.8
|
20.4
|
1.0
|
CD1
|
A:TRP530
|
4.9
|
25.0
|
1.0
|
OE1
|
A:GLU531
|
4.9
|
41.2
|
1.0
|
|
Iodine binding site 5 out
of 14 in 3ogw
Go back to
Iodine Binding Sites List in 3ogw
Iodine binding site 5 out
of 14 in the Structure of the Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A 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 Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I711
b:53.3
occ:1.00
|
CE2
|
A:TYR365
|
3.7
|
45.7
|
1.0
|
N
|
A:THR560
|
3.8
|
37.5
|
1.0
|
O
|
A:GLU363
|
3.8
|
41.5
|
1.0
|
NE
|
A:ARG397
|
4.0
|
33.7
|
1.0
|
CA
|
A:GLU363
|
4.0
|
40.9
|
1.0
|
CA
|
A:ILE559
|
4.0
|
37.6
|
1.0
|
N
|
A:LYS561
|
4.1
|
38.1
|
1.0
|
CG2
|
A:ILE559
|
4.2
|
37.5
|
1.0
|
OG1
|
A:THR560
|
4.3
|
38.5
|
1.0
|
C
|
A:GLU363
|
4.4
|
40.9
|
1.0
|
CG
|
A:GLU363
|
4.4
|
43.0
|
1.0
|
C
|
A:ILE559
|
4.4
|
37.7
|
1.0
|
O
|
A:HOH859
|
4.4
|
39.0
|
1.0
|
CB
|
A:GLU363
|
4.4
|
41.3
|
1.0
|
CD2
|
A:TYR365
|
4.5
|
44.9
|
1.0
|
OH
|
A:TYR365
|
4.5
|
46.1
|
1.0
|
CZ
|
A:TYR365
|
4.5
|
45.9
|
1.0
|
CB
|
A:LYS561
|
4.5
|
40.0
|
1.0
|
CG
|
A:LYS561
|
4.6
|
41.5
|
1.0
|
CB
|
A:ILE559
|
4.6
|
37.2
|
1.0
|
O
|
A:HIS558
|
4.6
|
37.5
|
1.0
|
NH2
|
A:ARG397
|
4.7
|
33.8
|
1.0
|
CA
|
A:THR560
|
4.8
|
37.2
|
1.0
|
CD
|
A:ARG397
|
4.8
|
32.3
|
1.0
|
CZ
|
A:ARG397
|
4.8
|
35.9
|
1.0
|
C
|
A:THR560
|
4.9
|
38.1
|
1.0
|
CG1
|
A:ILE559
|
4.9
|
38.4
|
1.0
|
CA
|
A:LYS561
|
4.9
|
39.4
|
1.0
|
O
|
A:LYS561
|
4.9
|
40.0
|
1.0
|
|
Iodine binding site 6 out
of 14 in 3ogw
Go back to
Iodine Binding Sites List in 3ogw
Iodine binding site 6 out
of 14 in the Structure of the Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A 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 Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I712
b:50.6
occ:0.50
|
CD2
|
A:PHE567
|
3.5
|
32.8
|
1.0
|
N
|
A:PHE567
|
3.5
|
29.6
|
1.0
|
O
|
A:HOH845
|
3.6
|
30.3
|
1.0
|
N
|
A:ALA566
|
3.6
|
32.4
|
1.0
|
CA
|
A:HIS565
|
3.7
|
35.9
|
1.0
|
C
|
A:HIS565
|
3.7
|
34.1
|
1.0
|
CB
|
A:PHE567
|
3.7
|
29.8
|
1.0
|
CB
|
A:HIS565
|
3.9
|
36.6
|
1.0
|
CG
|
A:PHE567
|
4.1
|
30.4
|
1.0
|
CA
|
A:PHE567
|
4.2
|
29.9
|
1.0
|
O
|
A:HOH914
|
4.2
|
41.9
|
1.0
|
CB
|
A:ASP311
|
4.3
|
22.8
|
1.0
|
O
|
A:HIS565
|
4.4
|
34.0
|
1.0
|
O
|
A:HOH784
|
4.4
|
29.5
|
1.0
|
O
|
A:HOH1011
|
4.5
|
37.7
|
1.0
|
CG
|
A:ASP311
|
4.5
|
24.1
|
1.0
|
C
|
A:ALA566
|
4.5
|
30.2
|
1.0
|
OD1
|
A:ASP311
|
4.5
|
27.9
|
1.0
|
CA
|
A:ALA566
|
4.6
|
30.9
|
1.0
|
CE2
|
A:PHE567
|
4.6
|
32.2
|
1.0
|
N
|
A:GLN568
|
4.6
|
30.5
|
1.0
|
O
|
A:HOH1067
|
4.6
|
39.8
|
1.0
|
ND1
|
A:HIS565
|
4.8
|
39.8
|
1.0
|
CG
|
A:HIS565
|
4.8
|
39.0
|
1.0
|
C
|
A:PHE567
|
4.8
|
30.1
|
1.0
|
O
|
A:ASP311
|
5.0
|
23.7
|
1.0
|
CA
|
A:ASP311
|
5.0
|
22.2
|
1.0
|
|
Iodine binding site 7 out
of 14 in 3ogw
Go back to
Iodine Binding Sites List in 3ogw
Iodine binding site 7 out
of 14 in the Structure of the Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A 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 Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I714
b:50.9
occ:0.50
|
O
|
A:HOH749
|
3.1
|
35.2
|
1.0
|
O
|
A:HOH1172
|
3.8
|
35.7
|
1.0
|
CD
|
A:ARG31
|
4.0
|
35.0
|
1.0
|
ND2
|
A:ASN333
|
4.0
|
31.4
|
1.0
|
NH1
|
A:ARG31
|
4.1
|
38.4
|
1.0
|
CE2
|
A:TYR331
|
4.2
|
24.5
|
1.0
|
CG
|
A:ARG31
|
4.3
|
30.4
|
1.0
|
CB
|
A:ARG31
|
4.4
|
29.1
|
1.0
|
CD
|
A:ARG527
|
4.5
|
26.2
|
1.0
|
CB
|
A:ASN333
|
4.6
|
26.0
|
1.0
|
CG
|
A:ASN333
|
4.9
|
27.1
|
1.0
|
NE
|
A:ARG31
|
4.9
|
38.1
|
1.0
|
CZ
|
A:ARG31
|
4.9
|
37.9
|
1.0
|
CD2
|
A:TYR331
|
5.0
|
26.9
|
1.0
|
|
Iodine binding site 8 out
of 14 in 3ogw
Go back to
Iodine Binding Sites List in 3ogw
Iodine binding site 8 out
of 14 in the Structure of the Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A 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 Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I713
b:44.0
occ:0.50
|
O
|
A:HOH1020
|
3.1
|
45.0
|
1.0
|
OG
|
A:SER359
|
3.1
|
24.9
|
1.0
|
O
|
A:HOH1164
|
3.5
|
36.6
|
1.0
|
CB
|
A:SER359
|
3.7
|
25.0
|
1.0
|
CB
|
A:GLU373
|
4.1
|
28.9
|
1.0
|
NZ
|
A:LYS402
|
4.2
|
34.2
|
1.0
|
CG
|
A:PRO367
|
4.2
|
39.9
|
1.0
|
CE
|
A:LYS402
|
4.2
|
30.2
|
1.0
|
CD2
|
A:LEU361
|
4.3
|
33.8
|
1.0
|
CB
|
A:ALA372
|
4.4
|
32.0
|
1.0
|
CA
|
A:PRO367
|
4.4
|
39.6
|
1.0
|
CB
|
A:PRO367
|
4.4
|
39.3
|
1.0
|
N
|
A:GLU373
|
4.6
|
30.5
|
1.0
|
CA
|
A:GLU373
|
4.7
|
28.1
|
1.0
|
O
|
A:ARG360
|
4.8
|
30.8
|
1.0
|
CA
|
A:SER359
|
4.8
|
25.1
|
1.0
|
C
|
A:ALA372
|
4.8
|
31.1
|
1.0
|
CD
|
A:PRO367
|
4.8
|
39.9
|
1.0
|
CG
|
A:GLU373
|
4.9
|
30.0
|
1.0
|
N
|
A:PRO367
|
4.9
|
39.8
|
1.0
|
OE1
|
A:GLU373
|
4.9
|
35.4
|
1.0
|
CD
|
A:GLU373
|
5.0
|
34.2
|
1.0
|
|
Iodine binding site 9 out
of 14 in 3ogw
Go back to
Iodine Binding Sites List in 3ogw
Iodine binding site 9 out
of 14 in the Structure of the Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A 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 Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I715
b:33.5
occ:0.70
|
N
|
A:LYS462
|
3.4
|
25.7
|
1.0
|
OG1
|
A:THR463
|
3.6
|
22.4
|
1.0
|
N
|
A:THR463
|
3.8
|
27.3
|
1.0
|
CA
|
A:GLY466
|
3.9
|
26.6
|
1.0
|
CA
|
A:LYS462
|
4.2
|
27.1
|
1.0
|
CA
|
A:PRO461
|
4.3
|
25.6
|
1.0
|
C
|
A:PRO461
|
4.3
|
25.4
|
1.0
|
CB
|
A:LYS462
|
4.3
|
28.1
|
1.0
|
N
|
A:GLY466
|
4.4
|
26.0
|
1.0
|
C
|
A:LYS462
|
4.5
|
27.6
|
1.0
|
CB
|
A:THR463
|
4.5
|
26.6
|
1.0
|
CG2
|
A:THR463
|
4.5
|
27.5
|
1.0
|
CA
|
A:THR463
|
4.8
|
27.1
|
1.0
|
CG
|
A:LYS462
|
4.8
|
28.6
|
1.0
|
O
|
A:HOH913
|
4.9
|
42.1
|
1.0
|
O
|
A:GLN460
|
4.9
|
23.7
|
1.0
|
|
Iodine binding site 10 out
of 14 in 3ogw
Go back to
Iodine Binding Sites List in 3ogw
Iodine binding site 10 out
of 14 in the Structure of the Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A 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 Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I716
b:24.4
occ:0.50
|
CG
|
A:PRO375
|
3.9
|
19.9
|
1.0
|
CE1
|
A:HIS377
|
4.0
|
20.6
|
1.0
|
NZ
|
A:LYS420
|
4.0
|
24.7
|
1.0
|
CB
|
A:PRO375
|
4.2
|
19.7
|
1.0
|
ND1
|
A:HIS377
|
4.7
|
20.9
|
1.0
|
O
|
A:HOH1074
|
4.8
|
35.6
|
1.0
|
OE1
|
A:GLU416
|
4.9
|
20.4
|
1.0
|
NE2
|
A:HIS377
|
5.0
|
18.7
|
1.0
|
|
Reference:
N.Pandey,
A.K.Singh,
M.Sinha,
R.P.Sing,
P.Kaur,
S.Sharma,
T.P.Singh.
Structure of the Complex of Bovine Lactoperoxidase with Indomethacin at 1.9A Resolution To Be Published.
Page generated: Sun Dec 13 19:28:49 2020
|