Iodine in PDB 3nyh: Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity
Enzymatic activity of Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity
All present enzymatic activity of Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity:
1.11.1.7;
Protein crystallography data
The structure of Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity, PDB code: 3nyh
was solved by
N.Pandey,
A.K.Singh,
M.Sinha,
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)
|
34.57 /
1.77
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
54.231,
79.837,
77.548,
90.00,
102.67,
90.00
|
R / Rfree (%)
|
18.8 /
23.6
|
Other elements in 3nyh:
The structure of Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity also contains other interesting chemical elements:
Iodine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
15;
Binding sites:
The binding sites of Iodine atom in the Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity
(pdb code 3nyh). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 15 binding sites of Iodine where determined in the
Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity, PDB code: 3nyh:
Jump to Iodine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iodine binding site 1 out
of 15 in 3nyh
Go back to
Iodine Binding Sites List in 3nyh
Iodine binding site 1 out
of 15 in the Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 1 of Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I607
b:19.6
occ:1.00
|
O
|
A:HOH915
|
3.3
|
17.6
|
1.0
|
N
|
A:TRP46
|
3.4
|
17.2
|
1.0
|
N
|
A:VAL342
|
3.4
|
13.8
|
1.0
|
CH2
|
A:TRP452
|
3.7
|
14.6
|
1.0
|
CB
|
A:ASN341
|
3.8
|
16.9
|
1.0
|
CZ2
|
A:TRP452
|
3.8
|
12.5
|
1.0
|
CB
|
A:VAL342
|
3.9
|
16.3
|
1.0
|
CA
|
A:ARG45
|
3.9
|
17.0
|
1.0
|
O
|
A:ALA44
|
3.9
|
18.6
|
1.0
|
CG1
|
A:VAL342
|
4.0
|
18.6
|
1.0
|
N
|
A:ASN341
|
4.0
|
15.0
|
1.0
|
C
|
A:ARG45
|
4.1
|
17.0
|
1.0
|
N
|
A:LEU47
|
4.1
|
17.5
|
1.0
|
CE
|
A:MET446
|
4.2
|
16.5
|
1.0
|
CD
|
A:ARG45
|
4.2
|
17.3
|
1.0
|
CA
|
A:VAL342
|
4.2
|
14.7
|
1.0
|
CB
|
A:TRP46
|
4.2
|
16.8
|
1.0
|
O
|
A:LEU47
|
4.3
|
17.8
|
1.0
|
CA
|
A:ASN341
|
4.3
|
13.8
|
1.0
|
C
|
A:ASN341
|
4.3
|
15.5
|
1.0
|
CA
|
A:TRP46
|
4.3
|
16.4
|
1.0
|
CB
|
A:SER340
|
4.5
|
15.9
|
1.0
|
NH1
|
A:ARG45
|
4.5
|
16.8
|
1.0
|
CB
|
A:ARG45
|
4.7
|
16.8
|
1.0
|
C
|
A:TRP46
|
4.8
|
17.4
|
1.0
|
C
|
A:ALA44
|
4.8
|
17.6
|
1.0
|
N
|
A:ARG45
|
4.8
|
16.2
|
1.0
|
CG
|
A:TRP46
|
4.8
|
15.7
|
1.0
|
C
|
A:SER340
|
4.8
|
14.3
|
1.0
|
SD
|
A:MET446
|
4.9
|
19.8
|
1.0
|
CZ3
|
A:TRP452
|
4.9
|
14.7
|
1.0
|
|
Iodine binding site 2 out
of 15 in 3nyh
Go back to
Iodine Binding Sites List in 3nyh
Iodine binding site 2 out
of 15 in the Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 2 of Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I608
b:31.2
occ:1.00
|
O
|
A:HOH1206
|
3.3
|
51.9
|
1.0
|
ND2
|
A:ASN80
|
3.5
|
22.5
|
1.0
|
O
|
A:HOH1309
|
3.6
|
47.4
|
1.0
|
O
|
A:HOH772
|
3.7
|
28.4
|
1.0
|
O
|
A:HOH695
|
3.7
|
33.2
|
1.0
|
CG
|
A:PRO145
|
3.8
|
23.3
|
1.0
|
CB
|
A:ASN80
|
3.9
|
19.8
|
1.0
|
CG
|
A:GLU77
|
4.2
|
22.8
|
1.0
|
CG
|
A:ASN80
|
4.2
|
18.8
|
1.0
|
CE
|
A:LYS81
|
4.3
|
30.0
|
1.0
|
CB
|
A:PRO145
|
4.3
|
24.7
|
1.0
|
CG
|
A:LYS81
|
4.5
|
23.4
|
1.0
|
CB
|
A:ASN147
|
4.7
|
31.6
|
1.0
|
CA
|
A:GLU77
|
4.7
|
19.1
|
1.0
|
CB
|
A:GLU77
|
4.8
|
19.9
|
1.0
|
CD
|
A:GLU77
|
4.9
|
29.3
|
1.0
|
CD
|
A:LYS81
|
4.9
|
27.6
|
1.0
|
O
|
A:GLU77
|
4.9
|
18.7
|
1.0
|
N
|
A:ASP148
|
4.9
|
27.3
|
1.0
|
|
Iodine binding site 3 out
of 15 in 3nyh
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Iodine Binding Sites List in 3nyh
Iodine binding site 3 out
of 15 in the Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 3 of Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I609
b:41.1
occ:0.50
|
NH2
|
A:ARG96
|
3.5
|
19.4
|
1.0
|
NH1
|
A:ARG96
|
3.6
|
21.9
|
1.0
|
O
|
A:HOH1052
|
3.6
|
36.6
|
1.0
|
O5
|
A:NAG596
|
3.7
|
49.4
|
1.0
|
ND2
|
A:ASN95
|
3.9
|
44.3
|
1.0
|
NH1
|
A:ARG506
|
4.0
|
23.4
|
1.0
|
CZ
|
A:ARG96
|
4.0
|
25.6
|
1.0
|
O
|
A:HOH818
|
4.0
|
29.4
|
1.0
|
O
|
A:HOH664
|
4.1
|
45.4
|
1.0
|
CA
|
A:ARG504
|
4.1
|
24.7
|
1.0
|
C6
|
A:NAG596
|
4.2
|
54.5
|
1.0
|
NH2
|
A:ARG506
|
4.2
|
26.4
|
1.0
|
C1
|
A:NAG596
|
4.3
|
48.6
|
1.0
|
C5
|
A:NAG596
|
4.4
|
53.4
|
1.0
|
C
|
A:ARG504
|
4.4
|
21.9
|
1.0
|
C2
|
A:NAG596
|
4.4
|
52.3
|
1.0
|
O7
|
A:NAG596
|
4.5
|
56.8
|
1.0
|
CZ
|
A:ARG506
|
4.5
|
27.4
|
1.0
|
O6
|
A:NAG596
|
4.6
|
56.0
|
1.0
|
O
|
A:ARG504
|
4.6
|
23.8
|
1.0
|
CG
|
A:ASN95
|
4.8
|
34.4
|
1.0
|
C4
|
A:NAG596
|
4.8
|
53.6
|
1.0
|
CB
|
A:ARG504
|
4.9
|
25.9
|
1.0
|
CG
|
A:ARG504
|
4.9
|
34.7
|
1.0
|
CB
|
A:ASN95
|
4.9
|
26.9
|
1.0
|
|
Iodine binding site 4 out
of 15 in 3nyh
Go back to
Iodine Binding Sites List in 3nyh
Iodine binding site 4 out
of 15 in the Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 4 of Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I610
b:42.3
occ:1.00
|
O
|
A:HOH1022
|
3.4
|
46.6
|
1.0
|
O
|
A:HOH1392
|
3.5
|
35.8
|
1.0
|
N
|
A:GLN217
|
3.7
|
33.2
|
1.0
|
N
|
A:PHE229
|
3.7
|
29.8
|
1.0
|
CG
|
A:ASN216
|
4.0
|
34.4
|
1.0
|
OD1
|
A:ASN216
|
4.0
|
32.1
|
1.0
|
CA
|
A:ASN216
|
4.1
|
31.5
|
1.0
|
ND2
|
A:ASN216
|
4.1
|
31.5
|
1.0
|
CA
|
A:PRO228
|
4.3
|
27.3
|
1.0
|
CD2
|
A:PHE229
|
4.3
|
26.7
|
1.0
|
CB
|
A:PHE229
|
4.4
|
30.4
|
1.0
|
C
|
A:ASN216
|
4.4
|
31.9
|
1.0
|
CB
|
A:PRO228
|
4.5
|
26.7
|
1.0
|
C
|
A:PRO228
|
4.5
|
28.2
|
1.0
|
CG
|
A:GLU218
|
4.6
|
44.1
|
1.0
|
CA
|
A:PHE229
|
4.6
|
30.6
|
1.0
|
CB
|
A:ASN216
|
4.6
|
31.4
|
1.0
|
OD1
|
A:ASN231
|
4.7
|
49.4
|
1.0
|
CG
|
A:PHE229
|
4.7
|
29.7
|
1.0
|
CD
|
A:GLU218
|
4.7
|
51.7
|
1.0
|
CA
|
A:GLN217
|
4.7
|
35.6
|
1.0
|
CB
|
A:GLN217
|
4.7
|
36.5
|
1.0
|
N
|
A:GLU218
|
4.8
|
36.1
|
1.0
|
O
|
A:PHE229
|
4.8
|
31.3
|
1.0
|
O
|
A:VAL215
|
4.9
|
30.3
|
1.0
|
OE2
|
A:GLU218
|
4.9
|
56.1
|
1.0
|
|
Iodine binding site 5 out
of 15 in 3nyh
Go back to
Iodine Binding Sites List in 3nyh
Iodine binding site 5 out
of 15 in the Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 5 of Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I611
b:25.3
occ:1.00
|
O
|
A:HOH911
|
3.4
|
36.7
|
1.0
|
NE1
|
A:TRP530
|
3.6
|
22.1
|
1.0
|
O
|
A:HOH860
|
3.7
|
27.4
|
1.0
|
O
|
A:HOH935
|
3.8
|
26.7
|
1.0
|
CB
|
A:PHE309
|
3.9
|
16.4
|
1.0
|
O
|
A:HOH1298
|
4.0
|
38.2
|
1.0
|
CZ2
|
A:TRP530
|
4.0
|
21.8
|
1.0
|
CE2
|
A:TRP530
|
4.2
|
24.8
|
1.0
|
N
|
A:ARG310
|
4.3
|
18.7
|
1.0
|
CB
|
A:ARG310
|
4.4
|
19.8
|
1.0
|
CA
|
A:ILE306
|
4.5
|
17.1
|
1.0
|
CZ2
|
A:TRP529
|
4.5
|
26.8
|
1.0
|
C
|
A:PHE309
|
4.5
|
17.4
|
1.0
|
O
|
A:HOH1236
|
4.6
|
40.7
|
1.0
|
CA
|
A:ARG310
|
4.7
|
20.1
|
1.0
|
O
|
A:ILE306
|
4.8
|
17.0
|
1.0
|
O
|
A:GLN305
|
4.8
|
14.8
|
1.0
|
CG1
|
A:ILE306
|
4.8
|
20.2
|
1.0
|
CA
|
A:PHE309
|
4.8
|
17.5
|
1.0
|
CD1
|
A:TRP530
|
4.8
|
25.3
|
1.0
|
|
Iodine binding site 6 out
of 15 in 3nyh
Go back to
Iodine Binding Sites List in 3nyh
Iodine binding site 6 out
of 15 in the Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 6 of Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I612
b:32.7
occ:1.00
|
O
|
A:HOH1169
|
3.1
|
39.3
|
1.0
|
NE
|
A:ARG397
|
3.5
|
32.8
|
1.0
|
N
|
A:THR560
|
3.6
|
28.1
|
1.0
|
NH2
|
A:ARG397
|
3.8
|
31.8
|
1.0
|
O
|
A:GLU363
|
3.8
|
32.3
|
1.0
|
CG2
|
A:ILE559
|
4.0
|
19.9
|
1.0
|
CG
|
A:GLU363
|
4.0
|
33.6
|
1.0
|
N
|
A:LYS561
|
4.1
|
27.2
|
1.0
|
CA
|
A:ILE559
|
4.1
|
26.2
|
1.0
|
CZ
|
A:ARG397
|
4.1
|
30.6
|
1.0
|
CB
|
A:GLU363
|
4.1
|
33.0
|
1.0
|
CA
|
A:GLU363
|
4.1
|
32.0
|
1.0
|
CE2
|
A:TYR365
|
4.2
|
22.8
|
1.0
|
C
|
A:ILE559
|
4.4
|
26.5
|
1.0
|
OG1
|
A:THR560
|
4.4
|
31.7
|
1.0
|
CB
|
A:LYS561
|
4.4
|
28.8
|
1.0
|
C
|
A:GLU363
|
4.4
|
31.8
|
1.0
|
CB
|
A:ILE559
|
4.5
|
25.9
|
1.0
|
CD
|
A:LYS561
|
4.5
|
38.5
|
1.0
|
CD
|
A:ARG397
|
4.5
|
28.6
|
1.0
|
CG1
|
A:ILE559
|
4.6
|
25.3
|
1.0
|
CG
|
A:LYS561
|
4.6
|
31.2
|
1.0
|
CA
|
A:THR560
|
4.7
|
27.2
|
1.0
|
O
|
A:HOH1112
|
4.7
|
35.0
|
1.0
|
O
|
A:HIS558
|
4.7
|
30.3
|
1.0
|
C
|
A:THR560
|
4.8
|
27.6
|
1.0
|
OH
|
A:TYR365
|
4.8
|
24.2
|
1.0
|
O
|
A:LYS561
|
4.8
|
25.2
|
1.0
|
CA
|
A:LYS561
|
4.8
|
26.2
|
1.0
|
OE1
|
A:GLU363
|
4.9
|
34.6
|
1.0
|
CD
|
A:GLU363
|
4.9
|
37.9
|
1.0
|
CZ
|
A:TYR365
|
5.0
|
22.5
|
1.0
|
|
Iodine binding site 7 out
of 15 in 3nyh
Go back to
Iodine Binding Sites List in 3nyh
Iodine binding site 7 out
of 15 in the Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 7 of Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I614
b:33.0
occ:0.50
|
O
|
A:HOH798
|
3.4
|
30.8
|
1.0
|
N
|
A:PHE567
|
3.5
|
21.4
|
1.0
|
N
|
A:ALA566
|
3.6
|
21.7
|
1.0
|
C
|
A:HIS565
|
3.7
|
21.9
|
1.0
|
CB
|
A:PHE567
|
3.7
|
21.6
|
1.0
|
CD2
|
A:PHE567
|
3.8
|
23.9
|
1.0
|
CA
|
A:HIS565
|
3.8
|
23.9
|
1.0
|
CG
|
A:PHE567
|
4.0
|
21.0
|
1.0
|
O
|
A:HOH896
|
4.1
|
30.7
|
1.0
|
CA
|
A:PHE567
|
4.1
|
22.0
|
1.0
|
CB
|
A:HIS565
|
4.1
|
24.2
|
1.0
|
CB
|
A:ASP311
|
4.2
|
20.2
|
1.0
|
O
|
A:HOH864
|
4.2
|
26.4
|
1.0
|
O
|
A:HIS565
|
4.3
|
22.6
|
1.0
|
O
|
A:HOH970
|
4.3
|
42.0
|
1.0
|
CG
|
A:ASP311
|
4.4
|
26.4
|
1.0
|
C
|
A:ALA566
|
4.5
|
21.6
|
1.0
|
CA
|
A:ALA566
|
4.5
|
20.5
|
1.0
|
CE2
|
A:PHE567
|
4.7
|
24.7
|
1.0
|
N
|
A:GLN568
|
4.7
|
23.7
|
1.0
|
ND1
|
A:HIS565
|
4.7
|
29.1
|
1.0
|
OD1
|
A:ASP311
|
4.7
|
25.1
|
1.0
|
O
|
A:HOH881
|
4.7
|
24.6
|
1.0
|
OD2
|
A:ASP311
|
4.8
|
25.1
|
1.0
|
C
|
A:PHE567
|
4.9
|
23.2
|
1.0
|
CG
|
A:HIS565
|
4.9
|
28.4
|
1.0
|
|
Iodine binding site 8 out
of 15 in 3nyh
Go back to
Iodine Binding Sites List in 3nyh
Iodine binding site 8 out
of 15 in the Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 8 of Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I616
b:54.5
occ:0.50
|
N
|
A:SER356
|
2.9
|
17.1
|
1.0
|
O
|
A:HOH888
|
3.0
|
34.8
|
1.0
|
OE1
|
A:GLU88
|
3.2
|
19.7
|
1.0
|
CA
|
A:PRO355
|
3.4
|
18.4
|
1.0
|
OG
|
A:SER356
|
3.5
|
18.4
|
1.0
|
CG1
|
A:VAL91
|
3.5
|
23.7
|
1.0
|
CB
|
A:PRO355
|
3.5
|
17.6
|
1.0
|
C
|
A:PRO355
|
3.6
|
16.8
|
1.0
|
CB
|
A:SER356
|
3.8
|
15.6
|
1.0
|
CA
|
A:SER356
|
3.9
|
16.6
|
1.0
|
O
|
A:HOH1376
|
4.0
|
26.3
|
1.0
|
CD
|
A:GLU88
|
4.0
|
23.1
|
1.0
|
CD2
|
A:LEU92
|
4.1
|
25.4
|
1.0
|
CB
|
A:GLU88
|
4.4
|
23.7
|
1.0
|
CG
|
A:GLU88
|
4.6
|
20.6
|
1.0
|
OH
|
A:TYR85
|
4.6
|
16.4
|
1.0
|
O
|
A:GLU88
|
4.7
|
22.6
|
1.0
|
N
|
A:PRO355
|
4.7
|
15.0
|
1.0
|
CB
|
A:LYS405
|
4.8
|
16.5
|
1.0
|
O
|
A:PRO355
|
4.8
|
16.7
|
1.0
|
OE2
|
A:GLU88
|
4.9
|
19.5
|
1.0
|
CD
|
A:LYS405
|
4.9
|
15.6
|
1.0
|
N
|
A:THR357
|
4.9
|
17.4
|
1.0
|
O
|
A:HOH785
|
4.9
|
42.3
|
1.0
|
CG
|
A:LYS405
|
4.9
|
19.2
|
1.0
|
C
|
A:SER356
|
4.9
|
17.1
|
1.0
|
CG
|
A:PRO355
|
4.9
|
19.9
|
1.0
|
|
Iodine binding site 9 out
of 15 in 3nyh
Go back to
Iodine Binding Sites List in 3nyh
Iodine binding site 9 out
of 15 in the Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 9 of Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I618
b:52.1
occ:0.50
|
CZ
|
A:PHE229
|
3.9
|
28.1
|
1.0
|
CE2
|
A:PHE229
|
3.9
|
30.2
|
1.0
|
CG2
|
A:ILE387
|
4.0
|
36.2
|
1.0
|
O
|
A:HOH1308
|
4.1
|
50.2
|
1.0
|
O
|
A:HOH634
|
4.2
|
52.5
|
1.0
|
CB
|
A:ALA219
|
4.4
|
33.7
|
1.0
|
CG2
|
A:VAL246
|
4.8
|
27.2
|
1.0
|
O
|
A:HOH747
|
4.9
|
40.6
|
1.0
|
CG1
|
A:VAL246
|
4.9
|
28.7
|
1.0
|
O
|
A:GLU218
|
5.0
|
37.7
|
1.0
|
|
Iodine binding site 10 out
of 15 in 3nyh
Go back to
Iodine Binding Sites List in 3nyh
Iodine binding site 10 out
of 15 in the Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity
 Mono view
 Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 10 of Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I619
b:42.7
occ:1.00
|
O
|
A:HOH1177
|
3.6
|
36.7
|
1.0
|
NH1
|
A:ARG202
|
3.7
|
39.5
|
1.0
|
CA
|
A:LEU199
|
4.0
|
27.5
|
1.0
|
N
|
A:LEU199
|
4.1
|
31.1
|
1.0
|
CD
|
A:ARG202
|
4.2
|
31.9
|
1.0
|
CB
|
A:LEU199
|
4.2
|
27.2
|
1.0
|
CD1
|
A:LEU199
|
4.2
|
25.9
|
1.0
|
C
|
A:SEP198
|
4.6
|
35.4
|
1.0
|
CB
|
A:SEP198
|
4.6
|
40.5
|
1.0
|
CZ
|
A:ARG202
|
4.8
|
40.0
|
1.0
|
CG
|
A:LEU199
|
4.9
|
28.4
|
1.0
|
O
|
A:SEP198
|
4.9
|
36.0
|
1.0
|
NE
|
A:ARG202
|
5.0
|
34.0
|
1.0
|
|
Reference:
N.Pandey,
A.K.Singh,
M.Sinha,
P.Kaur,
S.Sharma,
T.P.Singh.
Crystal Structure of Lactoperoxidase Complexed Simultaneously with Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through the Substrate Diffusion Channel Reveals A Preferential Queue of the Inorganic Substrates Towards the Distal Heme Cavity To Be Published.
Page generated: Sun Dec 13 19:28:41 2020
|